5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide

C13H12ClN3O2S — CID 166419760

IUPAC5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide
SMILESCCc1nc(C(N)=O)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClN3O2S/c1-2-9-16-10(11(15)18)13(20-9)17-12(19)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,18)(H,17,19)
InChIKeyMIQZKYRIBRFNKS-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.71
Rot. Bonds4

About 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide

5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 166419760) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide
PubChem CID166419760
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide
SMILESCCc1nc(C(N)=O)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClN3O2S/c1-2-9-16-10(11(15)18)13(20-9)17-12(19)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,18)(H,17,19)
InChIKeyMIQZKYRIBRFNKS-UHFFFAOYSA-N
XLogP2.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
CID 46234659
4-chloro-N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42904833
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
CID 3294417
methyl 5-carbamoyl-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225568
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
4-chloro-N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 15497678
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide
CID 99787814
2-(ethylamino)-5-[[4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 50802454
2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168969

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide (CID 166419760) is 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide is CCc1nc(C(N)=O)c(NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is MIQZKYRIBRFNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-2-9-16-10(11(15)18)13(20-9)17-12(19)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide?
5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 309.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166419760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).