3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C15H20N2O2S — CID 4543944

IUPAC3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)8-16-14(18)13-9-20-10-17(13)15(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,18)
InChIKeyXWULJCMRBKQXLK-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.97
Rot. Bonds4

About 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4543944) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4543944
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)8-16-14(18)13-9-20-10-17(13)15(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,18)
InChIKeyXWULJCMRBKQXLK-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 4543944) is 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CNC(=O)C1CSCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XWULJCMRBKQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(2)8-16-14(18)13-9-20-10-17(13)15(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4543944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).