Basic information
- CAS
586393-20-6- Standard SMILES
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccs1- InChIKey
QSBKHLSLBKPGBU-UHFFFAOYSA-N- Molecular formula
- C16H17N3OS2
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.08130452
Overview
N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide is a member of thioureas.
Names & identifiers
- Preferred name
- N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
- IUPAC
- N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide
Names & synonyms
N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamideN-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide586393-20-6N-((2-(pyrrolidin-1-yl)phenyl)carbamothioyl)thiophene-2-carboxamideN-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamideMLS000769077CHEMBL1331106CHEBI:111250DTXSID301329571HMS2791L23STK248190AKOS000474428
Show more names
SMR000433793UPCMLD0ENAT0515-3674:001Q27190865Z568997561-(2-Pyrrolidin-1-yl-phenyl)-3-(thiophene-2-carbonyl)-thiourea
Database identifiers
- CAS
586393-20-6- PubChem CID
- 889679
- DTXSID
DTXSID301329571- ChEMBL
CHEMBL1331106- ChEBI
CHEBI:111250
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Solubility3.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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