(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone

C20H26N2OS — CID 96997050

IUPAC(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H](CC)c2ccccc2)s1
InChIInChI=1S/C20H26N2OS/c1-4-16(15-10-7-6-8-11-15)17-12-9-13-22(17)20(23)19-14(3)21-18(5-2)24-19/h6-8,10-11,16-17H,4-5,9,12-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyQWDCWBFFAQMIDS-DLBZAZTESA-N
MW342.51 g/mol
LogP4.81
Rot. Bonds5

About (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone

(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone (PubChem CID 96997050) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
PubChem CID96997050
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H](CC)c2ccccc2)s1
InChIInChI=1S/C20H26N2OS/c1-4-16(15-10-7-6-8-11-15)17-12-9-13-22(17)20(23)19-14(3)21-18(5-2)24-19/h6-8,10-11,16-17H,4-5,9,12-13H2,1-3H3/t16-,17+/m0/s1
InChIKeyQWDCWBFFAQMIDS-DLBZAZTESA-N
XLogP4.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-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

Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 120627587
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95294853
2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95592322
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
N-[2-methyl-5-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95592222
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone (CID 96997050) is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H](CC)c2ccccc2)s1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
The InChIKey is QWDCWBFFAQMIDS-DLBZAZTESA-N. The full InChI is InChI=1S/C20H26N2OS/c1-4-16(15-10-7-6-8-11-15)17-12-9-13-22(17)20(23)19-14(3)21-18(5-2)24-19/h6-8,10-11,16-17H,4-5,9,12-13H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone has a molecular weight of 342.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96997050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).