(2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide

C17H23N3O3S — CID 98210345

IUPAC(2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide
SMILESN#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CSCN1C(=O)C1CCC1
InChIInChI=1S/C17H23N3O3S/c18-8-13(16(22)19-12-6-1-2-7-12)15(21)14-9-24-10-20(14)17(23)11-4-3-5-11/h11-14H,1-7,9-10H2,(H,19,22)/t13-,14-/m0/s1
InChIKeyVVGPANWFFIVKTD-KBPBESRZSA-N
MW349.46 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide

(2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide (PubChem CID 98210345) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide.

Molecular Properties

Compound Name(2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide
PubChem CID98210345
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide
SMILESN#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CSCN1C(=O)C1CCC1
InChIInChI=1S/C17H23N3O3S/c18-8-13(16(22)19-12-6-1-2-7-12)15(21)14-9-24-10-20(14)17(23)11-4-3-5-11/h11-14H,1-7,9-10H2,(H,19,22)/t13-,14-/m0/s1
InChIKeyVVGPANWFFIVKTD-KBPBESRZSA-N
XLogP1.46
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide 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

(2R)-2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 94189765
2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 47052901
(4R)-3-(cyclobutanecarbonyl)-N-(dicyclopropylmethyl)-1,3-thiazolidine-4-carboxamide
CID 97068575
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95158933
cyclopentyl-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 71935072
(2S)-2-cyano-N-cyclopentyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-oxopropanamide
CID 98765344
3-(cyclopentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188658
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
[4-(4-aminopiperidine-1-carbonyl)-1,3-thiazolidin-3-yl]-cyclopentylmethanone;hydrochloride
CID 119374240
tert-butyl (3S)-3-[(2R)-2-cyano-3-(cyclohexylamino)-3-oxopropanoyl]piperidine-1-carboxylate
CID 94365140
(2R)-2-cyano-3-cyclooctyl-N-methyl-3-oxopropanamide
CID 99812743

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide?
The IUPAC name of (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide (CID 98210345) is (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide.
What is the SMILES notation for (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide?
The canonical SMILES for (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide is N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CSCN1C(=O)C1CCC1.
What is the InChIKey of (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide?
The InChIKey is VVGPANWFFIVKTD-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23N3O3S/c18-8-13(16(22)19-12-6-1-2-7-12)15(21)14-9-24-10-20(14)17(23)11-4-3-5-11/h11-14H,1-7,9-10H2,(H,19,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide?
(2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide has a molecular weight of 349.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide is sourced from PubChem (CID 98210345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).