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

C11H9FN4O3S — CID 107335092

IUPAC2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H9FN4O3S/c1-5-9(20-11(13)14-5)10(17)15-7-2-6(12)3-8(4-7)16(18)19/h2-4H,1H3,(H2,13,14)(H,15,17)
InChIKeyBWFRELZBVKRWKP-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.33
Rot. Bonds3

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

2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 107335092) has the molecular formula C11H9FN4O3S and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID107335092
Molecular FormulaC11H9FN4O3S
Molecular Weight296.28 g/mol
Exact Mass296.04
IUPAC Name2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H9FN4O3S/c1-5-9(20-11(13)14-5)10(17)15-7-2-6(12)3-8(4-7)16(18)19/h2-4H,1H3,(H2,13,14)(H,15,17)
InChIKeyBWFRELZBVKRWKP-UHFFFAOYSA-N
XLogP2.33
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.33
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-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476
2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103145462
6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 107335605
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107335521
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-(4-fluoroanilino)-4-methyl-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30142383
2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
CID 107641671
2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114222286
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63021221

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 107335092) is 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BWFRELZBVKRWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3S/c1-5-9(20-11(13)14-5)10(17)15-7-2-6(12)3-8(4-7)16(18)19/h2-4H,1H3,(H2,13,14)(H,15,17).
What are the key properties of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107335092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).