N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine

C24H25F2N3OS — CID 4848240

IUPACN-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1cccc(C=Nn2c(-c3ccc(OC(F)F)cc3)cs/c2=N\C2CCCCC2)c1
InChIInChI=1S/C24H25F2N3OS/c1-17-6-5-7-18(14-17)15-27-29-22(19-10-12-21(13-11-19)30-23(25)26)16-31-24(29)28-20-8-3-2-4-9-20/h5-7,10-16,20,23H,2-4,8-9H2,1H3/b27-15?,28-24-
InChIKeyFZFFVDCXWRCREZ-FOMGGBCHSA-N
MW441.55 g/mol
LogP6.24
Rot. Bonds6

About N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine

N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 4848240) has the molecular formula C24H25F2N3OS and a molecular weight of 441.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID4848240
Molecular FormulaC24H25F2N3OS
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCc1cccc(C=Nn2c(-c3ccc(OC(F)F)cc3)cs/c2=N\C2CCCCC2)c1
InChIInChI=1S/C24H25F2N3OS/c1-17-6-5-7-18(14-17)15-27-29-22(19-10-12-21(13-11-19)30-23(25)26)16-31-24(29)28-20-8-3-2-4-9-20/h5-7,10-16,20,23H,2-4,8-9H2,1H3/b27-15?,28-24-
InChIKeyFZFFVDCXWRCREZ-FOMGGBCHSA-N
XLogP6.24
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 56.24
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

4-[[2-cyclohexylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135582260
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(2,6-difluorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 6905940
4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2365148
4-[4-(difluoromethoxy)phenyl]-3-[(2,6-difluorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 2451474
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
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
(E)-4-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6903469
(E)-4-[4-(difluoromethoxy)phenyl]-N-prop-2-enyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6906128
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905379
(E)-4-[4-(difluoromethoxy)phenyl]-N-methyl-3-[(E)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904028

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 4848240) is N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine is Cc1cccc(C=Nn2c(-c3ccc(OC(F)F)cc3)cs/c2=N\C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is FZFFVDCXWRCREZ-FOMGGBCHSA-N. The full InChI is InChI=1S/C24H25F2N3OS/c1-17-6-5-7-18(14-17)15-27-29-22(19-10-12-21(13-11-19)30-23(25)26)16-31-24(29)28-20-8-3-2-4-9-20/h5-7,10-16,20,23H,2-4,8-9H2,1H3/b27-15?,28-24-.
What are the key properties of N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine?
N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 441.55 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 4848240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).