(E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine

C20H12Cl2FN3S2 — CID 6906261

IUPAC(E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESFc1ccccc1/C=N/n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1Cl
InChIInChI=1S/C20H12Cl2FN3S2/c21-14-6-2-4-8-16(14)25-20-26(24-11-13-5-1-3-7-15(13)23)17(12-27-20)18-9-10-19(22)28-18/h1-12H/b24-11+,25-20-
InChIKeyLCHLSKZUDRUXPJ-ASVIZDKHSA-N
MW448.38 g/mol
LogP6.84
Rot. Bonds4

About (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine

(E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6906261) has the molecular formula C20H12Cl2FN3S2 and a molecular weight of 448.38 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID6906261
Molecular FormulaC20H12Cl2FN3S2
Molecular Weight448.38 g/mol
Exact Mass446.98
IUPAC Name(E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESFc1ccccc1/C=N/n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1Cl
InChIInChI=1S/C20H12Cl2FN3S2/c21-14-6-2-4-8-16(14)25-20-26(24-11-13-5-1-3-7-15(13)23)17(12-27-20)18-9-10-19(22)28-18/h1-12H/b24-11+,25-20-
InChIKeyLCHLSKZUDRUXPJ-ASVIZDKHSA-N
XLogP6.84
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.38
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2366363
N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2463108
4-(3,4-dichlorophenyl)-N-(2-fluorophenyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine
CID 3906593
(Z)-3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 5676772
(E)-3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 6902651
(E)-4-(3,4-dichlorophenyl)-N-(2-fluorophenyl)-3-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine
CID 9640556
N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23733472
N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23794634
N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23819351
N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23826858
N-cyclohexyl-4-(4-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23881236
N-(2-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23967231

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine (CID 6906261) is (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine is Fc1ccccc1/C=N/n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1Cl.
What is the InChIKey of (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is LCHLSKZUDRUXPJ-ASVIZDKHSA-N. The full InChI is InChI=1S/C20H12Cl2FN3S2/c21-14-6-2-4-8-16(14)25-20-26(24-11-13-5-1-3-7-15(13)23)17(12-27-20)18-9-10-19(22)28-18/h1-12H/b24-11+,25-20-.
What are the key properties of (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine?
(E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 448.38 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6906261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).