isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C14H9F3N2OS — CID 106782263

IUPACisoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)c1cncc2ccccc12
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)13-19-7-11(21-13)12(20)10-6-18-5-8-3-1-2-4-9(8)10/h1-7,12,20H
InChIKeyMWHJKHQUCFKCPA-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.79
Rot. Bonds2

About isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782263) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782263
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Nameisoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)c1cncc2ccccc12
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)13-19-7-11(21-13)12(20)10-6-18-5-8-3-1-2-4-9(8)10/h1-7,12,20H
InChIKeyMWHJKHQUCFKCPA-UHFFFAOYSA-N
XLogP3.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147546
(2-chloro-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786653
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785673
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
CID 63939378
isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol
CID 65363281
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
(2-bromo-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782227
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782263) is isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is MWHJKHQUCFKCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)13-19-7-11(21-13)12(20)10-6-18-5-8-3-1-2-4-9(8)10/h1-7,12,20H.
What are the key properties of isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 310.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).