2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

C17H25N3OS — CID 56792317

IUPAC2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CC1=CCCCC1)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H25N3OS/c21-16(12-14-6-2-1-3-7-14)18-9-8-15-13-22-17(19-15)20-10-4-5-11-20/h6,13H,1-5,7-12H2,(H,18,21)
InChIKeyDVDBPYFSMBTGNZ-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.29
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 56792317) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID56792317
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CC1=CCCCC1)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C17H25N3OS/c21-16(12-14-6-2-1-3-7-14)18-9-8-15-13-22-17(19-15)20-10-4-5-11-20/h6,13H,1-5,7-12H2,(H,18,21)
InChIKeyDVDBPYFSMBTGNZ-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 56792317) is 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(CC1=CCCCC1)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is DVDBPYFSMBTGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-16(12-14-6-2-1-3-7-14)18-9-8-15-13-22-17(19-15)20-10-4-5-11-20/h6,13H,1-5,7-12H2,(H,18,21).
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 319.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 56792317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).