(2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

C16H26N4O2S — CID 71918430

IUPAC(2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCCc1cnc(C(C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)s1
InChIInChI=1S/C16H26N4O2S/c1-5-12-9-17-15(23-12)11(4)19-14(21)13-7-6-8-20(13)16(22)18-10(2)3/h9-11,13H,5-8H2,1-4H3,(H,18,22)(H,19,21)/t11?,13-/m0/s1
InChIKeySTXKIFLFPICWCX-YUZLPWPTSA-N
MW338.48 g/mol
LogP2.47
Rot. Bonds5

About (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

(2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 71918430) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
PubChem CID71918430
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCCc1cnc(C(C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)s1
InChIInChI=1S/C16H26N4O2S/c1-5-12-9-17-15(23-12)11(4)19-14(21)13-7-6-8-20(13)16(22)18-10(2)3/h9-11,13H,5-8H2,1-4H3,(H,18,22)(H,19,21)/t11?,13-/m0/s1
InChIKeySTXKIFLFPICWCX-YUZLPWPTSA-N
XLogP2.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide 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)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (CID 71918430) is (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is CCc1cnc(C(C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)s1.
What is the InChIKey of (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is STXKIFLFPICWCX-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-5-12-9-17-15(23-12)11(4)19-14(21)13-7-6-8-20(13)16(22)18-10(2)3/h9-11,13H,5-8H2,1-4H3,(H,18,22)(H,19,21)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 338.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71918430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).