2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one

C17H26N2O3S — CID 58048469

IUPAC2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one
SMILESO=C1N=C(CC2CCCCCC2)SC1CC(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O3S/c20-16(19-7-9-22-10-8-19)12-14-17(21)18-15(23-14)11-13-5-3-1-2-4-6-13/h13-14H,1-12H2
InChIKeyOXICBJWYJJHEQA-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.64
Rot. Bonds4

About 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one

2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one (PubChem CID 58048469) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one
PubChem CID58048469
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one
SMILESO=C1N=C(CC2CCCCCC2)SC1CC(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O3S/c20-16(19-7-9-22-10-8-19)12-14-17(21)18-15(23-14)11-13-5-3-1-2-4-6-13/h13-14H,1-12H2
InChIKeyOXICBJWYJJHEQA-UHFFFAOYSA-N
XLogP2.64
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one (CID 58048469) is 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one is O=C1N=C(CC2CCCCCC2)SC1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one?
The InChIKey is OXICBJWYJJHEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c20-16(19-7-9-22-10-8-19)12-14-17(21)18-15(23-14)11-13-5-3-1-2-4-6-13/h13-14H,1-12H2.
What are the key properties of 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one?
2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one has a molecular weight of 338.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-4-one is sourced from PubChem (CID 58048469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).