5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol

C9H12F3NOS — CID 64565731

IUPAC5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
SMILESCc1nc(CC(O)CCC(F)(F)F)cs1
InChIInChI=1S/C9H12F3NOS/c1-6-13-7(5-15-6)4-8(14)2-3-9(10,11)12/h5,8,14H,2-4H2,1H3
InChIKeyGHCIADBANFWGGW-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.70
Rot. Bonds4

About 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol

5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol (PubChem CID 64565731) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
PubChem CID64565731
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
SMILESCc1nc(CC(O)CCC(F)(F)F)cs1
InChIInChI=1S/C9H12F3NOS/c1-6-13-7(5-15-6)4-8(14)2-3-9(10,11)12/h5,8,14H,2-4H2,1H3
InChIKeyGHCIADBANFWGGW-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474059
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
CID 62798257
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
CID 105106766
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 82869603
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol (CID 64565731) is 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol is Cc1nc(CC(O)CCC(F)(F)F)cs1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol?
The InChIKey is GHCIADBANFWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-6-13-7(5-15-6)4-8(14)2-3-9(10,11)12/h5,8,14H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol?
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol has a molecular weight of 239.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol is sourced from PubChem (CID 64565731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).