2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide

C14H16N4O2S — CID 62787362

IUPAC2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2csc(N)n2)c(C)c1
InChIInChI=1S/C14H16N4O2S/c1-3-16-12(19)9-4-5-10(8(2)6-9)17-13(20)11-7-21-14(15)18-11/h4-7H,3H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyVQKPKHUNIRFPDX-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62787362) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
PubChem CID62787362
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2csc(N)n2)c(C)c1
InChIInChI=1S/C14H16N4O2S/c1-3-16-12(19)9-4-5-10(8(2)6-9)17-13(20)11-7-21-14(15)18-11/h4-7H,3H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyVQKPKHUNIRFPDX-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119760388
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
2-amino-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116155
2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 113445874
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-ethyl-3-methylbenzamide
CID 63681118
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 62788927
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide (CID 62787362) is 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide is CCNC(=O)c1ccc(NC(=O)c2csc(N)n2)c(C)c1.
What is the InChIKey of 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VQKPKHUNIRFPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-16-12(19)9-4-5-10(8(2)6-9)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-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).