(4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile

C21H23N3O2S — CID 67758750

IUPAC(4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#C[C@@H]1CSCN1C(=O)[C@@H]1NCCC1C(=O)CCC1=Cc2ccccc2C1
InChIInChI=1S/C21H23N3O2S/c22-11-17-12-27-13-24(17)21(26)20-18(7-8-23-20)19(25)6-5-14-9-15-3-1-2-4-16(15)10-14/h1-4,9,17-18,20,23H,5-8,10,12-13H2/t17-,18?,20-/m1/s1
InChIKeyLDWKQNYHWSKSSO-IMBCPYESSA-N
MW381.50 g/mol
LogP2.38
Rot. Bonds5

About (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile

(4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile (PubChem CID 67758750) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile
PubChem CID67758750
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name(4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#C[C@@H]1CSCN1C(=O)[C@@H]1NCCC1C(=O)CCC1=Cc2ccccc2C1
InChIInChI=1S/C21H23N3O2S/c22-11-17-12-27-13-24(17)21(26)20-18(7-8-23-20)19(25)6-5-14-9-15-3-1-2-4-16(15)10-14/h1-4,9,17-18,20,23H,5-8,10,12-13H2/t17-,18?,20-/m1/s1
InChIKeyLDWKQNYHWSKSSO-IMBCPYESSA-N
XLogP2.38
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile (CID 67758750) is (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile is N#C[C@@H]1CSCN1C(=O)[C@@H]1NCCC1C(=O)CCC1=Cc2ccccc2C1.
What is the InChIKey of (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile?
The InChIKey is LDWKQNYHWSKSSO-IMBCPYESSA-N. The full InChI is InChI=1S/C21H23N3O2S/c22-11-17-12-27-13-24(17)21(26)20-18(7-8-23-20)19(25)6-5-14-9-15-3-1-2-4-16(15)10-14/h1-4,9,17-18,20,23H,5-8,10,12-13H2/t17-,18?,20-/m1/s1.
What are the key properties of (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile?
(4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile has a molecular weight of 381.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 67758750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).