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

C10H8N4O3S — CID 62788018

IUPAC2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C10H8N4O3S/c11-10-13-8(5-18-10)9(15)12-6-1-3-7(4-2-6)14(16)17/h1-5H,(H2,11,13)(H,12,15)
InChIKeyCUOGZJCYYNGTAL-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.89
Rot. Bonds3

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

2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62788018) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62788018
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C10H8N4O3S/c11-10-13-8(5-18-10)9(15)12-6-1-3-7(4-2-6)14(16)17/h1-5H,(H2,11,13)(H,12,15)
InChIKeyCUOGZJCYYNGTAL-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 107680867
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62789270
2-amino-N-(4-fluoro-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62787167
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 62788018) is 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CUOGZJCYYNGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c11-10-13-8(5-18-10)9(15)12-6-1-3-7(4-2-6)14(16)17/h1-5H,(H2,11,13)(H,12,15).
What are the key properties of 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-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 2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).