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

C14H10ClF3N2O3S — CID 59434824

IUPACN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(F)(F)F)cs2)c1Cl
InChIInChI=1S/C14H10ClF3N2O3S/c1-6(21)7-3-4-8(23-2)10(15)11(7)20-12(22)13-19-9(5-24-13)14(16,17)18/h3-5H,1-2H3,(H,20,22)
InChIKeyJIGIFPBOPDUDQD-UHFFFAOYSA-N
MW378.76 g/mol
LogP4.28
Rot. Bonds4

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

N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 59434824) 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)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID59434824
Molecular FormulaC14H10ClF3N2O3S
Molecular Weight378.76 g/mol
Exact Mass378.01
IUPAC NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(F)(F)F)cs2)c1Cl
InChIInChI=1S/C14H10ClF3N2O3S/c1-6(21)7-3-4-8(23-2)10(15)11(7)20-12(22)13-19-9(5-24-13)14(16,17)18/h3-5H,1-2H3,(H,20,22)
InChIKeyJIGIFPBOPDUDQD-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)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (CID 59434824) is N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2nc(C(F)(F)F)cs2)c1Cl.
What is the InChIKey of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is JIGIFPBOPDUDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3S/c1-6(21)7-3-4-8(23-2)10(15)11(7)20-12(22)13-19-9(5-24-13)14(16,17)18/h3-5H,1-2H3,(H,20,22).
What are the key properties of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-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)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 59434824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).