[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone

C8H10N2OS — CID 173237202

IUPAC[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)[C@@H]1CCCN1
InChIInChI=1S/C8H10N2OS/c11-8(6-2-1-3-9-6)7-4-12-5-10-7/h4-6,9H,1-3H2/t6-/m0/s1
InChIKeyPTXDJQGUHNEIQF-LURJTMIESA-N
MW182.25 g/mol
LogP1.08
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 173237202) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID173237202
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)[C@@H]1CCCN1
InChIInChI=1S/C8H10N2OS/c11-8(6-2-1-3-9-6)7-4-12-5-10-7/h4-6,9H,1-3H2/t6-/m0/s1
InChIKeyPTXDJQGUHNEIQF-LURJTMIESA-N
XLogP1.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone 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 [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone (CID 173237202) is [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PTXDJQGUHNEIQF-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8(6-2-1-3-9-6)7-4-12-5-10-7/h4-6,9H,1-3H2/t6-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 182.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 173237202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).