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

C12H12N4O2S — CID 62788909

IUPAC2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2csc(N)n2)cc1
InChIInChI=1S/C12H12N4O2S/c1-14-10(17)7-2-4-8(5-3-7)15-11(18)9-6-19-12(13)16-9/h2-6H,1H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyHDEIXUGCCRPTME-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.34
Rot. Bonds3

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

2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788909) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788909
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2csc(N)n2)cc1
InChIInChI=1S/C12H12N4O2S/c1-14-10(17)7-2-4-8(5-3-7)15-11(18)9-6-19-12(13)16-9/h2-6H,1H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyHDEIXUGCCRPTME-UHFFFAOYSA-N
XLogP1.34
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
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-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 62788909) is 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1ccc(NC(=O)c2csc(N)n2)cc1.
What is the InChIKey of 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HDEIXUGCCRPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-14-10(17)7-2-4-8(5-3-7)15-11(18)9-6-19-12(13)16-9/h2-6H,1H3,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).