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

C13H14N4O3S — CID 103145462

IUPAC2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H14N4O3S/c1-6-5-10(17(19)20)7(2)4-9(6)16-12(18)11-8(3)15-13(14)21-11/h4-5H,1-3H3,(H2,14,15)(H,16,18)
InChIKeyURZJTRVHZLSEQG-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.81
Rot. Bonds3

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

2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103145462) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID103145462
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H14N4O3S/c1-6-5-10(17(19)20)7(2)4-9(6)16-12(18)11-8(3)15-13(14)21-11/h4-5H,1-3H3,(H2,14,15)(H,16,18)
InChIKeyURZJTRVHZLSEQG-UHFFFAOYSA-N
XLogP2.81
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.81
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

4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
CID 62794259
5-chloro-N-(2,5-dimethyl-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 103145314
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104872498
2-amino-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 62792917
2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550
4-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7894601
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 103145316
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 103145462) is 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is URZJTRVHZLSEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-6-5-10(17(19)20)7(2)4-9(6)16-12(18)11-8(3)15-13(14)21-11/h4-5H,1-3H3,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).