N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H23N3O2S — CID 56911022

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H23N3O2S/c1-10(2)18-8-12(7-14(18)19)15(20)17(4)6-5-13-11(3)16-9-21-13/h9-10,12H,5-8H2,1-4H3
InChIKeyBJISJJDOCMYKKU-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.71
Rot. Bonds5

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 56911022) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID56911022
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H23N3O2S/c1-10(2)18-8-12(7-14(18)19)15(20)17(4)6-5-13-11(3)16-9-21-13/h9-10,12H,5-8H2,1-4H3
InChIKeyBJISJJDOCMYKKU-UHFFFAOYSA-N
XLogP1.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-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-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72935080
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 70773722
1-(1,3-benzothiazol-2-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 154571371
5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138377860
(2R)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125438357
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192523
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97132314
4-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butan-2-ol
CID 115665735
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 77085118
trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72873298
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 56911022) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1ncsc1CCN(C)C(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BJISJJDOCMYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10(2)18-8-12(7-14(18)19)15(20)17(4)6-5-13-11(3)16-9-21-13/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56911022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).