N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide

C13H19N3OS — CID 126830266

IUPACN-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
SMILESO=C(NCc1nccs1)C1CCC2CCCCN21
InChIInChI=1S/C13H19N3OS/c17-13(15-9-12-14-6-8-18-12)11-5-4-10-3-1-2-7-16(10)11/h6,8,10-11H,1-5,7,9H2,(H,15,17)
InChIKeyOMFJSSWRPHVFCR-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.78
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide

N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide (PubChem CID 126830266) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
PubChem CID126830266
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
SMILESO=C(NCc1nccs1)C1CCC2CCCCN21
InChIInChI=1S/C13H19N3OS/c17-13(15-9-12-14-6-8-18-12)11-5-4-10-3-1-2-7-16(10)11/h6,8,10-11H,1-5,7,9H2,(H,15,17)
InChIKeyOMFJSSWRPHVFCR-UHFFFAOYSA-N
XLogP1.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide (CID 126830266) is N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide is O=C(NCc1nccs1)C1CCC2CCCCN21.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide?
The InChIKey is OMFJSSWRPHVFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-13(15-9-12-14-6-8-18-12)11-5-4-10-3-1-2-7-16(10)11/h6,8,10-11H,1-5,7,9H2,(H,15,17).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide?
N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide is sourced from PubChem (CID 126830266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).