3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

C8H10F3NOS2 — CID 106782108

IUPAC3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCSCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS2/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4-5,13H,2-3H2,1H3
InChIKeyGVKVWLMZHNTGCN-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.95
Rot. Bonds4

About 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106782108) has the molecular formula C8H10F3NOS2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID106782108
Molecular FormulaC8H10F3NOS2
Molecular Weight257.30 g/mol
Exact Mass257.02
IUPAC Name3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCSCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS2/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4-5,13H,2-3H2,1H3
InChIKeyGVKVWLMZHNTGCN-UHFFFAOYSA-N
XLogP2.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782771
2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
N,2-dimethyl-3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 114222091
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786617
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoic acid
CID 106784489
2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
CID 106783691
[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786619

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106782108) is 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is CSCCC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is GVKVWLMZHNTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS2/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4-5,13H,2-3H2,1H3.
What are the key properties of 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 257.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106782108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).