N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide

C14H16N4O2S — CID 62794259

IUPACN-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C14H16N4O2S/c1-7-4-5-10(17-9(3)19)6-11(7)18-13(20)12-8(2)16-14(15)21-12/h4-6H,1-3H3,(H2,15,16)(H,17,19)(H,18,20)
InChIKeyRKSVTBDDBJPWLB-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.55
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide

N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62794259) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62794259
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C14H16N4O2S/c1-7-4-5-10(17-9(3)19)6-11(7)18-13(20)12-8(2)16-14(15)21-12/h4-6H,1-3H3,(H2,15,16)(H,17,19)(H,18,20)
InChIKeyRKSVTBDDBJPWLB-UHFFFAOYSA-N
XLogP2.55
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-N-(1H-indazol-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115347
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103145462
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
2-amino-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 62792917
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
CID 107208052

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide (CID 62794259) is N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)c2sc(N)nc2C)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RKSVTBDDBJPWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-7-4-5-10(17-9(3)19)6-11(7)18-13(20)12-8(2)16-14(15)21-12/h4-6H,1-3H3,(H2,15,16)(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62794259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).