4-(3-Nitro-phenyl)-thiazol-2-ylamine

C₉H₇N₃O₂SCAS 57493-24-0221.23 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₉H₇N₃O₂S
Molar mass: 221.23 g/mol
Exact mass: 221.0259 Da
logP: 2.30Crippen estimate
Polar surface area: 82.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

57493-24-0

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)N

InChIKey

CHBDOPARQRNCDM-UHFFFAOYSA-N

InChI

InChI=1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,(H2,10,11)

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Names and synonyms

1 names

2-Amino-4-(3-nitrophenyl)thiazole

Work with 4-(3-Nitro-phenyl)-thiazol-2-ylamine

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-Bromo-phenyl)-thiazol-2-ylamine105512-81-055 % similar 3-Nitrobiphenyl2113-58-851 % similar 4-(3-Nitrophenyl)pyridine4282-48-850 % similar 2-Amino-4-(3,4-dichlorophenyl)thiazole39893-80-649 % similar 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide199666-03-048 % similar 3-Nitroaniline99-09-248 % similar 1,3-Dinitrobenzene99-65-047 % similar 4-(3,4-Dimethyl-phenyl)-thiazol-2-ylamine104296-00-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-(p-nitrophenyl)thiazole2104-09-8 4-(2′-Thiazolylazo)resorcinol2246-46-0 1,3-Dihydro-4-(4-nitrophenyl)-2H-imidazole-2-thione6857-35-8

Elsewhere

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