[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol

C17H11ClFN5OS — CID 66801664

IUPAC[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1
InChIInChI=1S/C17H11ClFN5OS/c18-10-2-1-3-11(19)14(10)17-23-12-4-5-20-16(15(12)26-17)24-13-6-9(7-25)21-8-22-13/h1-6,8,25H,7H2,(H,20,21,22,24)
InChIKeyCZKQNTAWLOFPLL-UHFFFAOYSA-N
MW387.83 g/mol
LogP4.18
Rot. Bonds4

About [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol

[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol (PubChem CID 66801664) has the molecular formula C17H11ClFN5OS and a molecular weight of 387.83 g/mol. Its IUPAC name is [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol
PubChem CID66801664
Molecular FormulaC17H11ClFN5OS
Molecular Weight387.83 g/mol
Exact Mass387.04
IUPAC Name[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1
InChIInChI=1S/C17H11ClFN5OS/c18-10-2-1-3-11(19)14(10)17-23-12-4-5-20-16(15(12)26-17)24-13-6-9(7-25)21-8-22-13/h1-6,8,25H,7H2,(H,20,21,22,24)
InChIKeyCZKQNTAWLOFPLL-UHFFFAOYSA-N
XLogP4.18
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
The IUPAC name of [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol (CID 66801664) is [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
The canonical SMILES for [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol is OCc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)ncn1.
What is the InChIKey of [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
The InChIKey is CZKQNTAWLOFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5OS/c18-10-2-1-3-11(19)14(10)17-23-12-4-5-20-16(15(12)26-17)24-13-6-9(7-25)21-8-22-13/h1-6,8,25H,7H2,(H,20,21,22,24).
What are the key properties of [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
[6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol has a molecular weight of 387.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 66801664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).