4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide

C13H16N2OS — CID 171096177

IUPAC4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide
SMILESNC(=O)C1SNC(c2ccccc2)C1C1CC1
InChIInChI=1S/C13H16N2OS/c14-13(16)12-10(8-6-7-8)11(15-17-12)9-4-2-1-3-5-9/h1-5,8,10-12,15H,6-7H2,(H2,14,16)
InChIKeyAVKFDXOCHIAZOB-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.86
Rot. Bonds3

About 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide

4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide (PubChem CID 171096177) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide
PubChem CID171096177
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide
SMILESNC(=O)C1SNC(c2ccccc2)C1C1CC1
InChIInChI=1S/C13H16N2OS/c14-13(16)12-10(8-6-7-8)11(15-17-12)9-4-2-1-3-5-9/h1-5,8,10-12,15H,6-7H2,(H2,14,16)
InChIKeyAVKFDXOCHIAZOB-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide (CID 171096177) is 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide is NC(=O)C1SNC(c2ccccc2)C1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide?
The InChIKey is AVKFDXOCHIAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-13(16)12-10(8-6-7-8)11(15-17-12)9-4-2-1-3-5-9/h1-5,8,10-12,15H,6-7H2,(H2,14,16).
What are the key properties of 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide?
4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-phenyl-1,2-thiazolidine-5-carboxamide is sourced from PubChem (CID 171096177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).