[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone

C14H14N2OS — CID 11128993

IUPAC[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone
SMILESC[C@@H](c1ccccc1)N1C[C@@H]1C(=O)c1nccs1
InChIInChI=1S/C14H14N2OS/c1-10(11-5-3-2-4-6-11)16-9-12(16)13(17)14-15-7-8-18-14/h2-8,10,12H,9H2,1H3/t10-,12+,16?/m0/s1
InChIKeyOMXHDNNUFFHUGI-FBQUQXAYSA-N
MW258.35 g/mol
LogP2.77
Rot. Bonds4

About [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone

[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 11128993) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID11128993
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone
SMILESC[C@@H](c1ccccc1)N1C[C@@H]1C(=O)c1nccs1
InChIInChI=1S/C14H14N2OS/c1-10(11-5-3-2-4-6-11)16-9-12(16)13(17)14-15-7-8-18-14/h2-8,10,12H,9H2,1H3/t10-,12+,16?/m0/s1
InChIKeyOMXHDNNUFFHUGI-FBQUQXAYSA-N
XLogP2.77
TPSA32.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-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 [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone (CID 11128993) is [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone is C[C@@H](c1ccccc1)N1C[C@@H]1C(=O)c1nccs1.
What is the InChIKey of [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is OMXHDNNUFFHUGI-FBQUQXAYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10(11-5-3-2-4-6-11)16-9-12(16)13(17)14-15-7-8-18-14/h2-8,10,12H,9H2,1H3/t10-,12+,16?/m0/s1.
What are the key properties of [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone?
[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 258.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 11128993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).