(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide

C12H19N3OS — CID 61193687

IUPAC(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)[C@@H]2CCCN2)s1
InChIInChI=1S/C12H19N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)10-5-4-6-13-10/h8,10,13H,4-6H2,1-3H3,(H,15,16)/t8?,10-/m0/s1
InChIKeyIESIZXDDUZOQNS-HTLJXXAVSA-N
MW253.37 g/mol
LogP1.69
Rot. Bonds3

About (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 61193687) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID61193687
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)[C@@H]2CCCN2)s1
InChIInChI=1S/C12H19N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)10-5-4-6-13-10/h8,10,13H,4-6H2,1-3H3,(H,15,16)/t8?,10-/m0/s1
InChIKeyIESIZXDDUZOQNS-HTLJXXAVSA-N
XLogP1.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide 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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214522
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76888120
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310286
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390772
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 54953950

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide (CID 61193687) is (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide is Cc1nc(C)c(C(C)NC(=O)[C@@H]2CCCN2)s1.
What is the InChIKey of (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is IESIZXDDUZOQNS-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)10-5-4-6-13-10/h8,10,13H,4-6H2,1-3H3,(H,15,16)/t8?,10-/m0/s1.
What are the key properties of (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61193687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).