3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide

C11H7F3N2OS — CID 174867024

IUPAC3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1cc(Cc2cc(F)c(F)c(F)c2)ns1
InChIInChI=1S/C11H7F3N2OS/c12-7-2-5(3-8(13)10(7)14)1-6-4-9(11(15)17)18-16-6/h2-4H,1H2,(H2,15,17)
InChIKeyIRCFJOIICYTZEY-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.25
Rot. Bonds3

About 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide

3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide (PubChem CID 174867024) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide
PubChem CID174867024
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1cc(Cc2cc(F)c(F)c(F)c2)ns1
InChIInChI=1S/C11H7F3N2OS/c12-7-2-5(3-8(13)10(7)14)1-6-4-9(11(15)17)18-16-6/h2-4H,1H2,(H2,15,17)
InChIKeyIRCFJOIICYTZEY-UHFFFAOYSA-N
XLogP2.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-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 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide (CID 174867024) is 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide is NC(=O)c1cc(Cc2cc(F)c(F)c(F)c2)ns1.
What is the InChIKey of 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide?
The InChIKey is IRCFJOIICYTZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-7-2-5(3-8(13)10(7)14)1-6-4-9(11(15)17)18-16-6/h2-4H,1H2,(H2,15,17).
What are the key properties of 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide?
3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 174867024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).