3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine

C20H12Br2FN3S2 — CID 3888069

IUPAC3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccccc1/N=c1\scc(-c2ccc(Br)s2)n1N=Cc1ccccc1Br
InChIInChI=1S/C20H12Br2FN3S2/c21-14-6-2-1-5-13(14)11-24-26-17(18-9-10-19(22)28-18)12-27-20(26)25-16-8-4-3-7-15(16)23/h1-12H/b24-11?,25-20-
InChIKeyGQYOFQVVHQNKED-OGNRGYFLSA-N
MW537.28 g/mol
LogP7.06
Rot. Bonds4

About 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine

3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 3888069) has the molecular formula C20H12Br2FN3S2 and a molecular weight of 537.28 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID3888069
Molecular FormulaC20H12Br2FN3S2
Molecular Weight537.28 g/mol
Exact Mass534.88
IUPAC Name3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccccc1/N=c1\scc(-c2ccc(Br)s2)n1N=Cc1ccccc1Br
InChIInChI=1S/C20H12Br2FN3S2/c21-14-6-2-1-5-13(14)11-24-26-17(18-9-10-19(22)28-18)12-27-20(26)25-16-8-4-3-7-15(16)23/h1-12H/b24-11?,25-20-
InChIKeyGQYOFQVVHQNKED-OGNRGYFLSA-N
XLogP7.06
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.28
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 3888069) is 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine is Fc1ccccc1/N=c1\scc(-c2ccc(Br)s2)n1N=Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is GQYOFQVVHQNKED-OGNRGYFLSA-N. The full InChI is InChI=1S/C20H12Br2FN3S2/c21-14-6-2-1-5-13(14)11-24-26-17(18-9-10-19(22)28-18)12-27-20(26)25-16-8-4-3-7-15(16)23/h1-12H/b24-11?,25-20-.
What are the key properties of 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?
3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 537.28 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3888069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).