[6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol

C17H10Cl2FN5OS — CID 66801410

IUPAC[6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1cc(Nc2ncc(F)c3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C17H10Cl2FN5OS/c18-9-2-1-3-10(19)13(9)17-25-14-11(20)5-21-16(15(14)27-17)24-12-4-8(6-26)22-7-23-12/h1-5,7,26H,6H2,(H,21,22,23,24)
InChIKeyJLGXTNIKFPORNY-UHFFFAOYSA-N
MW422.27 g/mol
LogP4.83
Rot. Bonds4

About [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol

[6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol (PubChem CID 66801410) has the molecular formula C17H10Cl2FN5OS and a molecular weight of 422.27 g/mol. Its IUPAC name is [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol
PubChem CID66801410
Molecular FormulaC17H10Cl2FN5OS
Molecular Weight422.27 g/mol
Exact Mass421.00
IUPAC Name[6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1cc(Nc2ncc(F)c3nc(-c4c(Cl)cccc4Cl)sc23)ncn1
InChIInChI=1S/C17H10Cl2FN5OS/c18-9-2-1-3-10(19)13(9)17-25-14-11(20)5-21-16(15(14)27-17)24-12-4-8(6-26)22-7-23-12/h1-5,7,26H,6H2,(H,21,22,23,24)
InChIKeyJLGXTNIKFPORNY-UHFFFAOYSA-N
XLogP4.83
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
The IUPAC name of [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol (CID 66801410) is [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
The canonical SMILES for [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol is OCc1cc(Nc2ncc(F)c3nc(-c4c(Cl)cccc4Cl)sc23)ncn1.
What is the InChIKey of [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
The InChIKey is JLGXTNIKFPORNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN5OS/c18-9-2-1-3-10(19)13(9)17-25-14-11(20)5-21-16(15(14)27-17)24-12-4-8(6-26)22-7-23-12/h1-5,7,26H,6H2,(H,21,22,23,24).
What are the key properties of [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol?
[6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol has a molecular weight of 422.27 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 66801410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).