(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide

C18H25N3O2S — CID 95292279

IUPAC(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C18H25N3O2S/c1-2-17(22)21-13-24-12-16(21)18(23)19-15-8-4-3-7-14(15)11-20-9-5-6-10-20/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyRVDKFICOMVNACA-MRXNPFEDSA-N
MW347.48 g/mol
LogP2.53
Rot. Bonds5

About (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95292279) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95292279
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C18H25N3O2S/c1-2-17(22)21-13-24-12-16(21)18(23)19-15-8-4-3-7-14(15)11-20-9-5-6-10-20/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyRVDKFICOMVNACA-MRXNPFEDSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-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

(2S,4S)-4-amino-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 131943076
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
(4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 95296639
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 86904057
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336

Frequently Asked Questions

What is the IUPAC name of (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 95292279) is (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1CN1CCCC1.
What is the InChIKey of (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RVDKFICOMVNACA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-2-17(22)21-13-24-12-16(21)18(23)19-15-8-4-3-7-14(15)11-20-9-5-6-10-20/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,19,23)/t16-/m1/s1.
What are the key properties of (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95292279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).