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

C10H8N4O3S — CID 170986417

IUPACN-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cscn2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O3S/c11-7-2-1-6(3-9(7)14(16)17)13-10(15)8-4-18-5-12-8/h1-5H,11H2,(H,13,15)
InChIKeyKZDHUECVVVFOPL-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.89
Rot. Bonds3

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

N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 170986417) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID170986417
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC NameN-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1ccc(NC(=O)c2cscn2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8N4O3S/c11-7-2-1-6(3-9(7)14(16)17)13-10(15)8-4-18-5-12-8/h1-5H,11H2,(H,13,15)
InChIKeyKZDHUECVVVFOPL-UHFFFAOYSA-N
XLogP1.89
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide
CID 63047836
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
CID 86248819
N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 63024254
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
3-nitro-4-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 63021820
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-(2,6-dimethyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 71857584
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132
N-(3-chloro-4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 63023211
4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62185643
N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 23464321

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 170986417) is N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide is Nc1ccc(NC(=O)c2cscn2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KZDHUECVVVFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c11-7-2-1-6(3-9(7)14(16)17)13-10(15)8-4-18-5-12-8/h1-5H,11H2,(H,13,15).
What are the key properties of N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide?
N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 264.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 170986417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).