[2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol

C16H18F3NOS — CID 91337486

IUPAC[2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol
SMILESCC(CCc1nc(CO)cs1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NOS/c1-11(2-7-15-20-14(9-21)10-22-15)8-12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,21H,2,7-9H2,1H3
InChIKeyTVGVGUASHJNYDT-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.47
Rot. Bonds6

About [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol

[2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol (PubChem CID 91337486) has the molecular formula C16H18F3NOS and a molecular weight of 329.39 g/mol. Its IUPAC name is [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol
PubChem CID91337486
Molecular FormulaC16H18F3NOS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name[2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol
SMILESCC(CCc1nc(CO)cs1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NOS/c1-11(2-7-15-20-14(9-21)10-22-15)8-12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,21H,2,7-9H2,1H3
InChIKeyTVGVGUASHJNYDT-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol 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 [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol (CID 91337486) is [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol is CC(CCc1nc(CO)cs1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is TVGVGUASHJNYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NOS/c1-11(2-7-15-20-14(9-21)10-22-15)8-12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,21H,2,7-9H2,1H3.
What are the key properties of [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol?
[2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 329.39 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 91337486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).