2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one

C17H14BrN3OS — CID 2341101

IUPAC2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\Cc2ccccc2)N1N=Cc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c18-15-8-6-14(7-9-15)11-20-21-16(22)12-23-17(21)19-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2/b19-17-,20-11?
InChIKeyLXZYMQSKEGBYIO-JJBJCRQGSA-N
MW388.29 g/mol
LogP3.91
Rot. Bonds4

About 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one

2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one (PubChem CID 2341101) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
PubChem CID2341101
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\Cc2ccccc2)N1N=Cc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c18-15-8-6-14(7-9-15)11-20-21-16(22)12-23-17(21)19-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2/b19-17-,20-11?
InChIKeyLXZYMQSKEGBYIO-JJBJCRQGSA-N
XLogP3.91
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one (CID 2341101) is 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one is O=C1CS/C(=N\Cc2ccccc2)N1N=Cc1ccc(Br)cc1.
What is the InChIKey of 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
The InChIKey is LXZYMQSKEGBYIO-JJBJCRQGSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c18-15-8-6-14(7-9-15)11-20-21-16(22)12-23-17(21)19-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2/b19-17-,20-11?.
What are the key properties of 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one has a molecular weight of 388.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-3-[(4-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2341101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).