N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

C15H13F3N2O3S — CID 56605151

IUPACN-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(F)(F)F)cs2)c1C
InChIInChI=1S/C15H13F3N2O3S/c1-7-10(23-3)5-4-9(8(2)21)12(7)20-13(22)14-19-11(6-24-14)15(16,17)18/h4-6H,1-3H3,(H,20,22)
InChIKeyKYXMEJPZTIATIG-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.93
Rot. Bonds4

About N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 56605151) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID56605151
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(F)(F)F)cs2)c1C
InChIInChI=1S/C15H13F3N2O3S/c1-7-10(23-3)5-4-9(8(2)21)12(7)20-13(22)14-19-11(6-24-14)15(16,17)18/h4-6H,1-3H3,(H,20,22)
InChIKeyKYXMEJPZTIATIG-UHFFFAOYSA-N
XLogP3.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 56605152
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CID 57956408
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CID 59434824
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CID 59533407
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CID 59533413
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CID 66650494
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CID 68791274

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (CID 56605151) is N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2nc(C(F)(F)F)cs2)c1C.
What is the InChIKey of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is KYXMEJPZTIATIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-7-10(23-3)5-4-9(8(2)21)12(7)20-13(22)14-19-11(6-24-14)15(16,17)18/h4-6H,1-3H3,(H,20,22).
What are the key properties of N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-methoxy-2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 56605151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).