4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

C16H10F3NO2S2 — CID 20766023

IUPAC4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cc1cccs1
InChIInChI=1S/C16H10F3NO2S2/c17-16(18,19)10-5-3-9(4-6-10)14-20-12(13(24-14)15(21)22)8-11-2-1-7-23-11/h1-7H,8H2,(H,21,22)
InChIKeyVBYZKCRKSGPBIY-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.18
Rot. Bonds4

About 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 20766023) has the molecular formula C16H10F3NO2S2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID20766023
Molecular FormulaC16H10F3NO2S2
Molecular Weight369.39 g/mol
Exact Mass369.01
IUPAC Name4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cc1cccs1
InChIInChI=1S/C16H10F3NO2S2/c17-16(18,19)10-5-3-9(4-6-10)14-20-12(13(24-14)15(21)22)8-11-2-1-7-23-11/h1-7H,8H2,(H,21,22)
InChIKeyVBYZKCRKSGPBIY-UHFFFAOYSA-N
XLogP5.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid 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 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (CID 20766023) is 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cc1cccs1.
What is the InChIKey of 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VBYZKCRKSGPBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2S2/c17-16(18,19)10-5-3-9(4-6-10)14-20-12(13(24-14)15(21)22)8-11-2-1-7-23-11/h1-7H,8H2,(H,21,22).
What are the key properties of 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 369.39 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 20766023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).