1-(1,3-Benzothiazol-2-yl)-3-phenylurea
Basic information
- CAS
26135-12-6- Standard SMILES
O=C(Nc1ccccc1)Nc1nc2ccccc2s1- InChIKey
LDFWEBWORFXBQN-UHFFFAOYSA-N- Molecular formula
- C14H11N3OS
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.06228316
Overview
1-(1,3-benzothiazol-2-yl)-3-phenylurea is a member of ureas.
Names & identifiers
- Preferred name
- 1-(1,3-Benzothiazol-2-yl)-3-phenylurea
- IUPAC
- 1-(1,3-benzothiazol-2-yl)-3-phenylurea
Names & synonyms
1-(1,3-benzothiazol-2-yl)-3-phenylurea26135-12-6Urea, N-2-benzothiazolyl-N'-phenyl-MLS000706325SMR000288377Cambridge id 7127332Oprea1_030905cid_726342SCHEMBL1143751CHEMBL1610566BDBM49835DTXSID70352422
Show more names
CHEBI:116176HMS2703G10CCG-41088NSC833274STK133296AKOS000625868NSC-8332741-(benzo[d]thiazol-2-yl)-3-phenylurea
Database identifiers
- CAS
26135-12-6- PubChem CID
- 726342
- DTXSID
DTXSID70352422- ChEMBL
CHEMBL1610566- ChEBI
CHEBI:116176- Nikkaji
- J3.361.805K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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