[4-Amino-2-[[4-(1-piperazinyl)phenyl]amino]-5-thiazolyl](3-fluorophenyl)methanone

HCID 9800951
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Basic information

Standard SMILES
Nc1nc(Nc2ccc(N3CCNCC3)cc2)sc1C(=O)c1cccc(F)c1
InChIKey
XXISNDWRNXFLTQ-UHFFFAOYSA-N
Molecular formula
C20H20FN5OS
Average molar mass
397.5 g/mol

Names & identifiers

Preferred name
[4-Amino-2-[[4-(1-piperazinyl)phenyl]amino]-5-thiazolyl](3-fluorophenyl)methanone
IUPAC
[4-amino-2-(4-piperazin-1-ylanilino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone

Names & synonyms

SCHEMBL5743992XXISNDWRNXFLTQ-UHFFFAOYSA-N[4-amino-2-[[4-(1-piperazinyl)phenyl]amino]-5-thiazolyl](3-fluorophenyl)methanone

Database identifiers

PubChem CID
9800951

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
28

Related reactions

4 records
New reaction record

Compound notes

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