[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol

C15H20N4OS — CID 54760867

IUPAC[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol
SMILESCCc1cnc(N2CCC(c3nc(CO)cs3)CC2)nc1
InChIInChI=1S/C15H20N4OS/c1-2-11-7-16-15(17-8-11)19-5-3-12(4-6-19)14-18-13(9-20)10-21-14/h7-8,10,12,20H,2-6,9H2,1H3
InChIKeyXSMKHBNSPIGOCH-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.37
Rot. Bonds4

About [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol

[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 54760867) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol
PubChem CID54760867
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol
SMILESCCc1cnc(N2CCC(c3nc(CO)cs3)CC2)nc1
InChIInChI=1S/C15H20N4OS/c1-2-11-7-16-15(17-8-11)19-5-3-12(4-6-19)14-18-13(9-20)10-21-14/h7-8,10,12,20H,2-6,9H2,1H3
InChIKeyXSMKHBNSPIGOCH-UHFFFAOYSA-N
XLogP2.37
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol (CID 54760867) is [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol is CCc1cnc(N2CCC(c3nc(CO)cs3)CC2)nc1.
What is the InChIKey of [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is XSMKHBNSPIGOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-11-7-16-15(17-8-11)19-5-3-12(4-6-19)14-18-13(9-20)10-21-14/h7-8,10,12,20H,2-6,9H2,1H3.
What are the key properties of [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol?
[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 304.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 54760867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).