1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol

C20H26F2N4O2S — CID 158827415

IUPAC1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C20H26F2N4O2S/c1-13(27)16-12-29-19(24-16)18-23-15(10-14-2-4-20(21,22)5-3-14)11-17(25-18)26-6-8-28-9-7-26/h11-14,27H,2-10H2,1H3
InChIKeyIWPWOSVCBZMDAZ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.86
Rot. Bonds5

About 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol

1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol (PubChem CID 158827415) has the molecular formula C20H26F2N4O2S and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol
PubChem CID158827415
Molecular FormulaC20H26F2N4O2S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C20H26F2N4O2S/c1-13(27)16-12-29-19(24-16)18-23-15(10-14-2-4-20(21,22)5-3-14)11-17(25-18)26-6-8-28-9-7-26/h11-14,27H,2-10H2,1H3
InChIKeyIWPWOSVCBZMDAZ-UHFFFAOYSA-N
XLogP3.86
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol (CID 158827415) is 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1.
What is the InChIKey of 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is IWPWOSVCBZMDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2S/c1-13(27)16-12-29-19(24-16)18-23-15(10-14-2-4-20(21,22)5-3-14)11-17(25-18)26-6-8-28-9-7-26/h11-14,27H,2-10H2,1H3.
What are the key properties of 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol?
1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 424.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4,4-difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 158827415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).