(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C16H17N3O2S2 — CID 46390015

IUPAC(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2S2/c20-15(17-7-6-13-8-22-10-18-13)14-9-23-11-19(14)16(21)12-4-2-1-3-5-12/h1-5,8,10,14H,6-7,9,11H2,(H,17,20)/t14-/m1/s1
InChIKeyVKPUQSNJBRTSKQ-CQSZACIVSA-N
MW347.46 g/mol
LogP2.02
Rot. Bonds5

About (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 46390015) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID46390015
Molecular FormulaC16H17N3O2S2
Molecular Weight347.46 g/mol
Exact Mass347.08
IUPAC Name(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2S2/c20-15(17-7-6-13-8-22-10-18-13)14-9-23-11-19(14)16(21)12-4-2-1-3-5-12/h1-5,8,10,14H,6-7,9,11H2,(H,17,20)/t14-/m1/s1
InChIKeyVKPUQSNJBRTSKQ-CQSZACIVSA-N
XLogP2.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831297
(4S)-3-[2-(4-methylphenyl)acetyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390001
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4S)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 50831331
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
CID 94834398
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 46390015) is (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VKPUQSNJBRTSKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c20-15(17-7-6-13-8-22-10-18-13)14-9-23-11-19(14)16(21)12-4-2-1-3-5-12/h1-5,8,10,14H,6-7,9,11H2,(H,17,20)/t14-/m1/s1.
What are the key properties of (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 46390015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).