2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide

C14H11ClN4O2S — CID 137372046

IUPAC2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(Nc3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C14H11ClN4O2S/c1-8-6-12(19-21-8)18-13(20)11-7-22-14(17-11)16-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,17)(H,18,19,20)
InChIKeyKWLDRGCEFGJNFZ-UHFFFAOYSA-N
MW334.79 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide

2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 137372046) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID137372046
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(Nc3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C14H11ClN4O2S/c1-8-6-12(19-21-8)18-13(20)11-7-22-14(17-11)16-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,17)(H,18,19,20)
InChIKeyKWLDRGCEFGJNFZ-UHFFFAOYSA-N
XLogP4.09
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide
CID 137372326
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109268924
2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372065
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697573
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide (CID 137372046) is 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(Nc3ccc(Cl)cc3)n2)no1.
What is the InChIKey of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KWLDRGCEFGJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-8-6-12(19-21-8)18-13(20)11-7-22-14(17-11)16-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,16,17)(H,18,19,20).
What are the key properties of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 334.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137372046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).