N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H23N3O2S — CID 100851036

IUPACN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C15H23N3O2S/c1-11-10-21-15(20)18(11)9-6-14(19)16-12-5-8-17-7-3-2-4-13(12)17/h10,12-13H,2-9H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyUIUMNSQAIHNIMY-OLZOCXBDSA-N
MW309.44 g/mol
LogP1.35
Rot. Bonds4

About N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 100851036) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID100851036
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C15H23N3O2S/c1-11-10-21-15(20)18(11)9-6-14(19)16-12-5-8-17-7-3-2-4-13(12)17/h10,12-13H,2-9H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyUIUMNSQAIHNIMY-OLZOCXBDSA-N
XLogP1.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 100851036) is N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)N[C@@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is UIUMNSQAIHNIMY-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-10-21-15(20)18(11)9-6-14(19)16-12-5-8-17-7-3-2-4-13(12)17/h10,12-13H,2-9H2,1H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 309.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 100851036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).