(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide

C18H19N3O2S — CID 97212140

IUPAC(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CSCN1C(=O)Cc1cccnc1
InChIInChI=1S/C18H19N3O2S/c22-17(9-15-7-4-8-19-10-15)21-13-24-12-16(21)18(23)20-11-14-5-2-1-3-6-14/h1-8,10,16H,9,11-13H2,(H,20,23)/t16-/m1/s1
InChIKeyBQRMJJFJYFPKKC-MRXNPFEDSA-N
MW341.44 g/mol
LogP1.84
Rot. Bonds5

About (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97212140) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
PubChem CID97212140
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CSCN1C(=O)Cc1cccnc1
InChIInChI=1S/C18H19N3O2S/c22-17(9-15-7-4-8-19-10-15)21-13-24-12-16(21)18(23)20-11-14-5-2-1-3-6-14/h1-8,10,16H,9,11-13H2,(H,20,23)/t16-/m1/s1
InChIKeyBQRMJJFJYFPKKC-MRXNPFEDSA-N
XLogP1.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61203852
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
N-[(4-fluorophenyl)methyl]-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809176
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(3S,5R)-1-(2-phenylacetyl)-5-(pyridin-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56906230
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
4-(pyridin-3-ylmethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82903979
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881

Frequently Asked Questions

What is the IUPAC name of (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide (CID 97212140) is (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)Cc1cccnc1.
What is the InChIKey of (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BQRMJJFJYFPKKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(9-15-7-4-8-19-10-15)21-13-24-12-16(21)18(23)20-11-14-5-2-1-3-6-14/h1-8,10,16H,9,11-13H2,(H,20,23)/t16-/m1/s1.
What are the key properties of (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97212140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).