[2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol

C14H9F3N2OS — CID 57432059

IUPAC[2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
SMILESOCc1ccnc2sc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)10-3-1-8(2-4-10)12-19-11-9(7-20)5-6-18-13(11)21-12/h1-6,20H,7H2
InChIKeyRROQLFKYUBRMDB-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.87
Rot. Bonds2

About [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol

[2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol (PubChem CID 57432059) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
PubChem CID57432059
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name[2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
SMILESOCc1ccnc2sc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)10-3-1-8(2-4-10)12-19-11-9(7-20)5-6-18-13(11)21-12/h1-6,20H,7H2
InChIKeyRROQLFKYUBRMDB-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol (CID 57432059) is [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol is OCc1ccnc2sc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
The InChIKey is RROQLFKYUBRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)10-3-1-8(2-4-10)12-19-11-9(7-20)5-6-18-13(11)21-12/h1-6,20H,7H2.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
[2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol has a molecular weight of 310.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol is sourced from PubChem (CID 57432059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).