2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide

C10H7ClN4O3S — CID 62786667

IUPAC2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cs1
InChIInChI=1S/C10H7ClN4O3S/c11-6-2-1-5(15(17)18)3-7(6)13-9(16)8-4-19-10(12)14-8/h1-4H,(H2,12,14)(H,13,16)
InChIKeyIKKNURCSFGZMSZ-UHFFFAOYSA-N
MW298.71 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62786667) has the molecular formula C10H7ClN4O3S and a molecular weight of 298.71 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62786667
Molecular FormulaC10H7ClN4O3S
Molecular Weight298.71 g/mol
Exact Mass297.99
IUPAC Name2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cs1
InChIInChI=1S/C10H7ClN4O3S/c11-6-2-1-5(15(17)18)3-7(6)13-9(16)8-4-19-10(12)14-8/h1-4H,(H2,12,14)(H,13,16)
InChIKeyIKKNURCSFGZMSZ-UHFFFAOYSA-N
XLogP2.54
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617284
2-amino-N-(4-fluoro-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62787167
2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62789270
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 113445874
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-4-nitrobenzoic acid
CID 65199661
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
2-(aminomethyl)-N-(2-fluoro-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66377693
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 62786667) is 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cs1.
What is the InChIKey of 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IKKNURCSFGZMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3S/c11-6-2-1-5(15(17)18)3-7(6)13-9(16)8-4-19-10(12)14-8/h1-4H,(H2,12,14)(H,13,16).
What are the key properties of 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 298.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62786667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).