3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine

C17H15F2N3S2 — CID 23908537

IUPAC3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=C(C)c1c(F)cccc1F
InChIInChI=1S/C17H15F2N3S2/c1-3-20-17-22(14(10-24-17)15-8-5-9-23-15)21-11(2)16-12(18)6-4-7-13(16)19/h4-10H,3H2,1-2H3/b20-17-,21-11?
InChIKeyZLHSAVZBIMHZJP-PBEPQCNBSA-N
MW363.46 g/mol
LogP4.75
Rot. Bonds4

About 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23908537) has the molecular formula C17H15F2N3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23908537
Molecular FormulaC17H15F2N3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=C(C)c1c(F)cccc1F
InChIInChI=1S/C17H15F2N3S2/c1-3-20-17-22(14(10-24-17)15-8-5-9-23-15)21-11(2)16-12(18)6-4-7-13(16)19/h4-10H,3H2,1-2H3/b20-17-,21-11?
InChIKeyZLHSAVZBIMHZJP-PBEPQCNBSA-N
XLogP4.75
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.75
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

2-[5-(4-Fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 66488890
(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-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine
CID 9112341
(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6904176
3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2366363
N-benzyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2388408
N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2393588
4-(2-fluorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2473729
4-(5-bromothiophen-2-yl)-N-prop-2-enyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2495006
4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 5090393
7-(4-Fluorophenyl)-3-thiophen-2-yl-5-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazepine
CID 5092376

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23908537) is 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cccs2)n1N=C(C)c1c(F)cccc1F.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is ZLHSAVZBIMHZJP-PBEPQCNBSA-N. The full InChI is InChI=1S/C17H15F2N3S2/c1-3-20-17-22(14(10-24-17)15-8-5-9-23-15)21-11(2)16-12(18)6-4-7-13(16)19/h4-10H,3H2,1-2H3/b20-17-,21-11?.
What are the key properties of 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 363.46 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)ethylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23908537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).