2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine

C19H20F2N4OS — CID 123228493

IUPAC2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(c1ccnc(OCC2CCC(F)(F)CC2)n1)c1nc2cccnc2s1
InChIInChI=1S/C19H20F2N4OS/c1-12(16-24-15-3-2-9-22-17(15)27-16)14-6-10-23-18(25-14)26-11-13-4-7-19(20,21)8-5-13/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3
InChIKeyORDHTEXCCHVWRJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.84
Rot. Bonds5

About 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine

2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 123228493) has the molecular formula C19H20F2N4OS and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID123228493
Molecular FormulaC19H20F2N4OS
Molecular Weight390.46 g/mol
Exact Mass390.13
IUPAC Name2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(c1ccnc(OCC2CCC(F)(F)CC2)n1)c1nc2cccnc2s1
InChIInChI=1S/C19H20F2N4OS/c1-12(16-24-15-3-2-9-22-17(15)27-16)14-6-10-23-18(25-14)26-11-13-4-7-19(20,21)8-5-13/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3
InChIKeyORDHTEXCCHVWRJ-UHFFFAOYSA-N
XLogP4.84
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine (CID 123228493) is 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine is CC(c1ccnc(OCC2CCC(F)(F)CC2)n1)c1nc2cccnc2s1.
What is the InChIKey of 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is ORDHTEXCCHVWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4OS/c1-12(16-24-15-3-2-9-22-17(15)27-16)14-6-10-23-18(25-14)26-11-13-4-7-19(20,21)8-5-13/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3.
What are the key properties of 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 390.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4,4-difluorocyclohexyl)methoxy]pyrimidin-4-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 123228493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).