2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide

C14H16N4O2S — CID 62788927

IUPAC2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2csc(N)n2)c1C
InChIInChI=1S/C14H16N4O2S/c1-3-12(19)16-9-5-4-6-10(8(9)2)17-13(20)11-7-21-14(15)18-11/h4-7H,3H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyWBMPWWZECWUAOH-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.63
Rot. Bonds4

About 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788927) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788927
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2csc(N)n2)c1C
InChIInChI=1S/C14H16N4O2S/c1-3-12(19)16-9-5-4-6-10(8(9)2)17-13(20)11-7-21-14(15)18-11/h4-7H,3H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyWBMPWWZECWUAOH-UHFFFAOYSA-N
XLogP2.63
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870
2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 62789087
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
2-amino-N-quinolin-5-yl-1,3-thiazole-4-carboxamide
CID 55115964
2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787362
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24673329
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
2-amino-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116155

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide (CID 62788927) is 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2csc(N)n2)c1C.
What is the InChIKey of 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WBMPWWZECWUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-12(19)16-9-5-4-6-10(8(9)2)17-13(20)11-7-21-14(15)18-11/h4-7H,3H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20).
What are the key properties of 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).