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

C18H12ClFN4OS — CID 56952099

IUPAC[2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)c1
InChIInChI=1S/C18H12ClFN4OS/c19-11-2-1-3-12(20)15(11)18-23-13-5-7-22-17(16(13)26-18)24-14-8-10(9-25)4-6-21-14/h1-8,25H,9H2,(H,21,22,24)
InChIKeyDYXGSXNCBIGJIH-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.78
Rot. Bonds4

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

[2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol (PubChem CID 56952099) has the molecular formula C18H12ClFN4OS and a molecular weight of 386.84 g/mol. Its IUPAC name is [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
PubChem CID56952099
Molecular FormulaC18H12ClFN4OS
Molecular Weight386.84 g/mol
Exact Mass386.04
IUPAC Name[2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)c1
InChIInChI=1S/C18H12ClFN4OS/c19-11-2-1-3-12(20)15(11)18-23-13-5-7-22-17(16(13)26-18)24-14-8-10(9-25)4-6-21-14/h1-8,25H,9H2,(H,21,22,24)
InChIKeyDYXGSXNCBIGJIH-UHFFFAOYSA-N
XLogP4.78
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol (CID 56952099) is [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol is OCc1ccnc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)c1.
What is the InChIKey of [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol?
The InChIKey is DYXGSXNCBIGJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4OS/c19-11-2-1-3-12(20)15(11)18-23-13-5-7-22-17(16(13)26-18)24-14-8-10(9-25)4-6-21-14/h1-8,25H,9H2,(H,21,22,24).
What are the key properties of [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol?
[2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol has a molecular weight of 386.84 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 56952099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).