[1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C14H20F3NOS — CID 106786567

IUPAC[1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)CC1(C(O)c2cnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C14H20F3NOS/c1-9(2)7-13(5-3-4-6-13)11(19)10-8-18-12(20-10)14(15,16)17/h8-9,11,19H,3-7H2,1-2H3
InChIKeyACPSBTKZJNHFQM-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.80
Rot. Bonds4

About [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

[1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786567) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786567
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name[1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)CC1(C(O)c2cnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C14H20F3NOS/c1-9(2)7-13(5-3-4-6-13)11(19)10-8-18-12(20-10)14(15,16)17/h8-9,11,19H,3-7H2,1-2H3
InChIKeyACPSBTKZJNHFQM-UHFFFAOYSA-N
XLogP4.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782895
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
N-[(1-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106830795
(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783739
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoic acid
CID 106784489
(3-ethyltriazol-4-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 114213614
2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782771
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782108
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786567) is [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC(C)CC1(C(O)c2cnc(C(F)(F)F)s2)CCCC1.
What is the InChIKey of [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is ACPSBTKZJNHFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-9(2)7-13(5-3-4-6-13)11(19)10-8-18-12(20-10)14(15,16)17/h8-9,11,19H,3-7H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 307.38 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)cyclopentyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).