N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H11F3N2OS2 — CID 1143580

IUPACN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccs1
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)11-4-1-3-10(7-11)8-12-9-20-15(24-12)21-14(22)13-5-2-6-23-13/h1-7,9H,8H2,(H,20,21,22)
InChIKeyPPJHGGPAHGBCPV-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.07
Rot. Bonds4

About N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1143580) has the molecular formula C16H11F3N2OS2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID1143580
Molecular FormulaC16H11F3N2OS2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccs1
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)11-4-1-3-10(7-11)8-12-9-20-15(24-12)21-14(22)13-5-2-6-23-13/h1-7,9H,8H2,(H,20,21,22)
InChIKeyPPJHGGPAHGBCPV-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 1143580) is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccs1.
What is the InChIKey of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is PPJHGGPAHGBCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS2/c17-16(18,19)11-4-1-3-10(7-11)8-12-9-20-15(24-12)21-14(22)13-5-2-6-23-13/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1143580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).