(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide

C15H24N4O2S — CID 97242103

IUPAC(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCc1cnc(CC(C)C)s1
InChIInChI=1S/C15H24N4O2S/c1-10(2)7-13-17-8-11(22-13)9-18-15(21)19-6-4-5-12(19)14(20)16-3/h8,10,12H,4-7,9H2,1-3H3,(H,16,20)(H,18,21)/t12-/m0/s1
InChIKeyWMLXBSRWKFXPNL-LBPRGKRZSA-N
MW324.45 g/mol
LogP1.76
Rot. Bonds5

About (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 97242103) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID97242103
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)NCc1cnc(CC(C)C)s1
InChIInChI=1S/C15H24N4O2S/c1-10(2)7-13-17-8-11(22-13)9-18-15(21)19-6-4-5-12(19)14(20)16-3/h8,10,12H,4-7,9H2,1-3H3,(H,16,20)(H,18,21)/t12-/m0/s1
InChIKeyWMLXBSRWKFXPNL-LBPRGKRZSA-N
XLogP1.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-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-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide (CID 97242103) is (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide is CNC(=O)[C@@H]1CCCN1C(=O)NCc1cnc(CC(C)C)s1.
What is the InChIKey of (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is WMLXBSRWKFXPNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10(2)7-13-17-8-11(22-13)9-18-15(21)19-6-4-5-12(19)14(20)16-3/h8,10,12H,4-7,9H2,1-3H3,(H,16,20)(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97242103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).