(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine

C18H17F2N3O2S2 — CID 6905379

IUPAC(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccsc1
InChIInChI=1S/C18H17F2N3O2S2/c1-24-8-7-21-18-23(22-10-13-6-9-26-11-13)16(12-27-18)14-2-4-15(5-3-14)25-17(19)20/h2-6,9-12,17H,7-8H2,1H3/b21-18-,22-10+
InChIKeyHTFXXVLAFHGICV-HNRAKDTKSA-N
MW409.48 g/mol
LogP4.31
Rot. Bonds8

About (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6905379) has the molecular formula C18H17F2N3O2S2 and a molecular weight of 409.48 g/mol. Its IUPAC name is (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6905379
Molecular FormulaC18H17F2N3O2S2
Molecular Weight409.48 g/mol
Exact Mass409.07
IUPAC Name(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccsc1
InChIInChI=1S/C18H17F2N3O2S2/c1-24-8-7-21-18-23(22-10-13-6-9-26-11-13)16(12-27-18)14-2-4-15(5-3-14)25-17(19)20/h2-6,9-12,17H,7-8H2,1H3/b21-18-,22-10+
InChIKeyHTFXXVLAFHGICV-HNRAKDTKSA-N
XLogP4.31
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2365148
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365286
(Z)-N-(2-methoxyethyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7975500
(E)-4-[4-(difluoromethoxy)phenyl]-N-prop-2-enyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6906128
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6906107
4-[[4-[4-(difluoromethoxy)phenyl]-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 2457453
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6903469
4-[(Z)-[4-(4-fluorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 7975619
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(2,6-difluorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 6905940
4-[4-(difluoromethoxy)phenyl]-3-[(2,6-difluorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 2451474
(E)-4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6905418
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]-2-ethoxyphenol
CID 135614073

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6905379) is (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccsc1.
What is the InChIKey of (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is HTFXXVLAFHGICV-HNRAKDTKSA-N. The full InChI is InChI=1S/C18H17F2N3O2S2/c1-24-8-7-21-18-23(22-10-13-6-9-26-11-13)16(12-27-18)14-2-4-15(5-3-14)25-17(19)20/h2-6,9-12,17H,7-8H2,1H3/b21-18-,22-10+.
What are the key properties of (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 409.48 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6905379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).