2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide

C10H8N4O4S — CID 107680867

IUPAC2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2c(O)cccc2[N+](=O)[O-])cs1
InChIInChI=1S/C10H8N4O4S/c11-10-12-5(4-19-10)9(16)13-8-6(14(17)18)2-1-3-7(8)15/h1-4,15H,(H2,11,12)(H,13,16)
InChIKeyZPNXUKIRKJSOJY-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 107680867) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID107680867
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC Name2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2c(O)cccc2[N+](=O)[O-])cs1
InChIInChI=1S/C10H8N4O4S/c11-10-12-5(4-19-10)9(16)13-8-6(14(17)18)2-1-3-7(8)15/h1-4,15H,(H2,11,12)(H,13,16)
InChIKeyZPNXUKIRKJSOJY-UHFFFAOYSA-N
XLogP1.59
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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
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
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
CID 107681305
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-bromobenzoic acid
CID 55176539
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681100
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 107680867) is 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2c(O)cccc2[N+](=O)[O-])cs1.
What is the InChIKey of 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZPNXUKIRKJSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c11-10-12-5(4-19-10)9(16)13-8-6(14(17)18)2-1-3-7(8)15/h1-4,15H,(H2,11,12)(H,13,16).
What are the key properties of 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 280.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107680867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).