2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

C₇H₈N₂OSCAS 17583-10-7168.21 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₇H₈N₂OS
Molar mass: 168.21 g/mol
Exact mass: 168.0357 Da
logP: 1.24Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Warning

H303 May be harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17583-10-7

SMILES

C1CC2=C(C(=O)C1)SC(=N2)N

InChIKey

JAZOMJIYYHHUBH-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Amino-5,6-dihydro-1,3-benzothiazol-7(4H)-one

Work with 2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5,6-Dihydro-4H-cyclopenta[d]thiazol-2-amine hydrochloride82514-58-743 % similar 2-Amino-6-(propylamino)-5,6-dihydrobenzo[D]thiazol-7(4H)-one1286047-33-342 % similar 5-Acetyl-2-amino-4-methylthiazole30748-47-138 % similar 5,6,7,8-Tetrahydroquinolinone-553400-41-237 % similar Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-636 % similar Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-935 % similar (6R)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine106092-11-933 % similar 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Hydroxyphenyl)thiourea1520-27-0 (3-Hydroxyphenyl)thiourea3394-05-6 1-[2-(Methylsulfanyl)pyrimidin-4-yl]ethan-1-one496863-48-0

Elsewhere

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