3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide

C15H21N3O2S — CID 120831309

IUPAC3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-11(16-2)8-17-14(19)13-9-21-10-18(13)15(20)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,19)
InChIKeyGOESFBVXQRICCC-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.93
Rot. Bonds5

About 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 120831309) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
PubChem CID120831309
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-11(16-2)8-17-14(19)13-9-21-10-18(13)15(20)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,19)
InChIKeyGOESFBVXQRICCC-UHFFFAOYSA-N
XLogP0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-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

3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831919
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
N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120832672
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120826760
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide (CID 120831309) is 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide is CNC(C)CNC(=O)C1CSCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GOESFBVXQRICCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(16-2)8-17-14(19)13-9-21-10-18(13)15(20)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 120831309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).