N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C14H10ClF3N2O3S — CID 68792612

IUPACN-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2csc(C(F)(F)F)n2)c1Cl
InChIInChI=1S/C14H10ClF3N2O3S/c1-6(21)7-3-4-9(23-2)10(15)11(7)20-12(22)8-5-24-13(19-8)14(16,17)18/h3-5H,1-2H3,(H,20,22)
InChIKeyBHKRRLRLIYXRHF-UHFFFAOYSA-N
MW378.76 g/mol
LogP4.28
Rot. Bonds4

About N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 68792612) has the molecular formula C14H10ClF3N2O3S and a molecular weight of 378.76 g/mol. Its IUPAC name is N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID68792612
Molecular FormulaC14H10ClF3N2O3S
Molecular Weight378.76 g/mol
Exact Mass378.01
IUPAC NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2csc(C(F)(F)F)n2)c1Cl
InChIInChI=1S/C14H10ClF3N2O3S/c1-6(21)7-3-4-9(23-2)10(15)11(7)20-12(22)8-5-24-13(19-8)14(16,17)18/h3-5H,1-2H3,(H,20,22)
InChIKeyBHKRRLRLIYXRHF-UHFFFAOYSA-N
XLogP4.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 68792612) is N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2csc(C(F)(F)F)n2)c1Cl.
What is the InChIKey of N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BHKRRLRLIYXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3S/c1-6(21)7-3-4-9(23-2)10(15)11(7)20-12(22)8-5-24-13(19-8)14(16,17)18/h3-5H,1-2H3,(H,20,22).
What are the key properties of N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 378.76 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-2-chloro-3-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68792612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).