[(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

C14H20N4OS — CID 67507092

IUPAC[(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESNc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1
InChIInChI=1S/C14H20N4OS/c15-10-1-3-11(4-2-10)17-12-7-13(16-8-12)14(19)18-5-6-20-9-18/h1-4,12-13,16-17H,5-9,15H2/t12-,13-/m0/s1
InChIKeyRQFDQPZZZNZLFI-STQMWFEESA-N
MW292.41 g/mol
LogP0.94
Rot. Bonds3

About [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

[(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 67507092) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID67507092
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESNc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1
InChIInChI=1S/C14H20N4OS/c15-10-1-3-11(4-2-10)17-12-7-13(16-8-12)14(19)18-5-6-20-9-18/h1-4,12-13,16-17H,5-9,15H2/t12-,13-/m0/s1
InChIKeyRQFDQPZZZNZLFI-STQMWFEESA-N
XLogP0.94
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (CID 67507092) is [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is Nc1ccc(N[C@@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1.
What is the InChIKey of [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is RQFDQPZZZNZLFI-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N4OS/c15-10-1-3-11(4-2-10)17-12-7-13(16-8-12)14(19)18-5-6-20-9-18/h1-4,12-13,16-17H,5-9,15H2/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
[(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 292.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(4-aminoanilino)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 67507092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).