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

C15H24N4O2S — CID 75388728

IUPAC2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=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)
InChIKeyWMLXBSRWKFXPNL-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.76
Rot. Bonds5

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

2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 75388728) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID75388728
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=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)
InChIKeyWMLXBSRWKFXPNL-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide (CID 75388728) is 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide is CNC(=O)C1CCCN1C(=O)NCc1cnc(CC(C)C)s1.
What is the InChIKey of 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is WMLXBSRWKFXPNL-UHFFFAOYSA-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).
What are the key properties of 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide?
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 2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 75388728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).