1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

C15H17N3OS — CID 125014137

IUPAC1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1
InChIInChI=1S/C15H17N3OS/c1-11(19)18-7-5-12(10-18)9-13-3-2-4-14(17-13)15-16-6-8-20-15/h2-4,6,8,12H,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyWJYUHWPAZRZPNB-LBPRGKRZSA-N
MW287.39 g/mol
LogP2.62
Rot. Bonds3

About 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 125014137) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID125014137
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1
InChIInChI=1S/C15H17N3OS/c1-11(19)18-7-5-12(10-18)9-13-3-2-4-14(17-13)15-16-6-8-20-15/h2-4,6,8,12H,5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyWJYUHWPAZRZPNB-LBPRGKRZSA-N
XLogP2.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (CID 125014137) is 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1.
What is the InChIKey of 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is WJYUHWPAZRZPNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11(19)18-7-5-12(10-18)9-13-3-2-4-14(17-13)15-16-6-8-20-15/h2-4,6,8,12H,5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 287.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125014137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).