2-Amino-4-(3,4-dichlorophenyl)thiazole

C9H6Cl2N2SCAS 39893-80-6245.12 g/mol

Open in Covalent MOL file
SNH2NClCl
Aryl halidePrimary amine

Properties

Molecular formula
C9H6Cl2N2S
Molar mass
245.12 g/mol
Exact mass
243.9629 Da
logP
3.70Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
39893-80-6
SMILES
C1=CC(=C(C=C1C2=CSC(=N2)N)Cl)Cl
InChIKey
UWAXMUSNRIUHRQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)

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Names and synonyms

1 names
  • 4-(3,4-Dichloro-phenyl)-thiazol-2-ylamine

Work with 2-Amino-4-(3,4-dichlorophenyl)thiazole

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

4-(3,4-Dimethyl-phenyl)-thiazol-2-ylamine104296-00-659 % similar 4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine175135-32-758 % similar 4-(3-Bromo-phenyl)-thiazol-2-ylamine105512-81-056 % similar 4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine2103-91-554 % similar 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-854 % similar 4-(4-Fluorophenyl)-1,3-thiazol-2-amine77815-14-654 % similar 4-Pyridin-4-yl-thiazol-2-ylamine30235-28-053 % similar 4-(9H-Fluoren-2-yl)-1,3-thiazol-2-amine299438-56-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine93209-97-3

Elsewhere

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