3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine

C16H13ClFN3S2 — CID 2366363

IUPAC3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3S2/c1-2-19-16-21(14(10-23-16)15-7-4-8-22-15)20-9-11-12(17)5-3-6-13(11)18/h3-10H,2H2,1H3/b19-16-,20-9?
InChIKeyGDBWRSQVUVALDL-BWJXZGEQSA-N
MW365.89 g/mol
LogP4.87
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 2366363) has the molecular formula C16H13ClFN3S2 and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID2366363
Molecular FormulaC16H13ClFN3S2
Molecular Weight365.89 g/mol
Exact Mass365.02
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3S2/c1-2-19-16-21(14(10-23-16)15-7-4-8-22-15)20-9-11-12(17)5-3-6-13(11)18/h3-10H,2H2,1H3/b19-16-,20-9?
InChIKeyGDBWRSQVUVALDL-BWJXZGEQSA-N
XLogP4.87
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 54.87
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

(E)-4-(4-chlorophenyl)-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675456
(E)-4-(4-chlorophenyl)-3-prop-2-enyl-N-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675490
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386
N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2463108
4-(2-fluorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2473729
4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 5090393
(Z)-3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 5676772
(Z)-4-(2-fluorophenyl)-N-methyl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 5689191
(Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6267660
(E)-3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 6902651
(E)-N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6906261

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 2366363) is 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cccs2)n1N=Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is GDBWRSQVUVALDL-BWJXZGEQSA-N. The full InChI is InChI=1S/C16H13ClFN3S2/c1-2-19-16-21(14(10-23-16)15-7-4-8-22-15)20-9-11-12(17)5-3-6-13(11)18/h3-10H,2H2,1H3/b19-16-,20-9?.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 365.89 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 2366363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).