1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

C15H24N2O2S — CID 111429992

IUPAC1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCC(C(C)O)CC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-10(2)15-16-13(9-20-15)8-14(19)17-6-4-12(5-7-17)11(3)18/h9-12,18H,4-8H2,1-3H3
InChIKeyLXGYCTDLYGKTCE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 111429992) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID111429992
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCC(C(C)O)CC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-10(2)15-16-13(9-20-15)8-14(19)17-6-4-12(5-7-17)11(3)18/h9-12,18H,4-8H2,1-3H3
InChIKeyLXGYCTDLYGKTCE-UHFFFAOYSA-N
XLogP2.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (CID 111429992) is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is CC(C)c1nc(CC(=O)N2CCC(C(C)O)CC2)cs1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is LXGYCTDLYGKTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)15-16-13(9-20-15)8-14(19)17-6-4-12(5-7-17)11(3)18/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 296.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 111429992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).