2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one

C18H28N2O3S — CID 58048173

IUPAC2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one
SMILESO=C1N=C(CC2CCCCCC2)SC1CC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H28N2O3S/c21-14-8-5-9-20(12-14)17(22)11-15-18(23)19-16(24-15)10-13-6-3-1-2-4-7-13/h13-15,21H,1-12H2
InChIKeyUZSVTNRREGUFSL-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.76
Rot. Bonds4

About 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one

2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one (PubChem CID 58048173) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one
PubChem CID58048173
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one
SMILESO=C1N=C(CC2CCCCCC2)SC1CC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H28N2O3S/c21-14-8-5-9-20(12-14)17(22)11-15-18(23)19-16(24-15)10-13-6-3-1-2-4-7-13/h13-15,21H,1-12H2
InChIKeyUZSVTNRREGUFSL-UHFFFAOYSA-N
XLogP2.76
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one
CID 58048469

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one?
The IUPAC name of 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one (CID 58048173) is 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one is O=C1N=C(CC2CCCCCC2)SC1CC(=O)N1CCCC(O)C1.
What is the InChIKey of 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one?
The InChIKey is UZSVTNRREGUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c21-14-8-5-9-20(12-14)17(22)11-15-18(23)19-16(24-15)10-13-6-3-1-2-4-7-13/h13-15,21H,1-12H2.
What are the key properties of 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one?
2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one has a molecular weight of 352.50 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one is sourced from PubChem (CID 58048173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).