4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile

C24H23F2N5O2S — CID 2378657

IUPAC4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
SMILESN#Cc1ccc(C=Nn2c(-c3ccc(OC(F)F)cc3)cs/c2=N\CCN2CCOCC2)cc1
InChIInChI=1S/C24H23F2N5O2S/c25-23(26)33-21-7-5-20(6-8-21)22-17-34-24(28-9-10-30-11-13-32-14-12-30)31(22)29-16-19-3-1-18(15-27)2-4-19/h1-8,16-17,23H,9-14H2/b28-24-,29-16?
InChIKeyCQMATPPDMXZDLV-SYGQDELFSA-N
MW483.54 g/mol
LogP3.80
Rot. Bonds8

About 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile

4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile (PubChem CID 2378657) has the molecular formula C24H23F2N5O2S and a molecular weight of 483.54 g/mol. Its IUPAC name is 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
PubChem CID2378657
Molecular FormulaC24H23F2N5O2S
Molecular Weight483.54 g/mol
Exact Mass483.15
IUPAC Name4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
SMILESN#Cc1ccc(C=Nn2c(-c3ccc(OC(F)F)cc3)cs/c2=N\CCN2CCOCC2)cc1
InChIInChI=1S/C24H23F2N5O2S/c25-23(26)33-21-7-5-20(6-8-21)22-17-34-24(28-9-10-30-11-13-32-14-12-30)31(22)29-16-19-3-1-18(15-27)2-4-19/h1-8,16-17,23H,9-14H2/b28-24-,29-16?
InChIKeyCQMATPPDMXZDLV-SYGQDELFSA-N
XLogP3.80
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[4-(difluoromethoxy)phenyl]-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 2457453
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6906107
4-[(Z)-[4-(4-fluorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 7975619
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6903469
(Z)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 99676442
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905379
4-[(Z)-[4-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 7974775
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2365148
4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582
4-[[4-(4-chlorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23963868
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365286
(E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 6906377

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?
The IUPAC name of 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile (CID 2378657) is 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile.
What is the SMILES notation for 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?
The canonical SMILES for 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is N#Cc1ccc(C=Nn2c(-c3ccc(OC(F)F)cc3)cs/c2=N\CCN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?
The InChIKey is CQMATPPDMXZDLV-SYGQDELFSA-N. The full InChI is InChI=1S/C24H23F2N5O2S/c25-23(26)33-21-7-5-20(6-8-21)22-17-34-24(28-9-10-30-11-13-32-14-12-30)31(22)29-16-19-3-1-18(15-27)2-4-19/h1-8,16-17,23H,9-14H2/b28-24-,29-16?.
What are the key properties of 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?
4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile has a molecular weight of 483.54 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is sourced from PubChem (CID 2378657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).