N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

C22H24N4OS — CID 23878887

IUPACN-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccccc1-c1cs/c(=N\C2CCCCC2)n1N=Cc1cccnc1
InChIInChI=1S/C22H24N4OS/c1-27-21-12-6-5-11-19(21)20-16-28-22(25-18-9-3-2-4-10-18)26(20)24-15-17-8-7-13-23-14-17/h5-8,11-16,18H,2-4,9-10H2,1H3/b24-15?,25-22-
InChIKeyHWMBGGWWLQKQOK-XIFUBYQZSA-N
MW392.53 g/mol
LogP4.74
Rot. Bonds5

About N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23878887) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23878887
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccccc1-c1cs/c(=N\C2CCCCC2)n1N=Cc1cccnc1
InChIInChI=1S/C22H24N4OS/c1-27-21-12-6-5-11-19(21)20-16-28-22(25-18-9-3-2-4-10-18)26(20)24-15-17-8-7-13-23-14-17/h5-8,11-16,18H,2-4,9-10H2,1H3/b24-15?,25-22-
InChIKeyHWMBGGWWLQKQOK-XIFUBYQZSA-N
XLogP4.74
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-cyclohexylimino-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23735324
4-[[2-cyclohexylimino-4-(2,5-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-2-ethoxyphenol
CID 135822869
2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135840434
2-bromo-4-[(2-cyclohexylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]-6-methoxyphenol
CID 135666214
2,6-dibromo-4-[[4-(2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135843358
N-cyclohexyl-4-(2-fluorophenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23932879
4-[2-cyclopropylimino-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 46698925
N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine
CID 23936843
4-(2-methoxyphenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23824278
N-cyclohexyl-4-[4-(difluoromethoxy)phenyl]-3-[(3-methylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 4848240
4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23823582
4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23879982

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23878887) is N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is COc1ccccc1-c1cs/c(=N\C2CCCCC2)n1N=Cc1cccnc1.
What is the InChIKey of N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is HWMBGGWWLQKQOK-XIFUBYQZSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-27-21-12-6-5-11-19(21)20-16-28-22(25-18-9-3-2-4-10-18)26(20)24-15-17-8-7-13-23-14-17/h5-8,11-16,18H,2-4,9-10H2,1H3/b24-15?,25-22-.
What are the key properties of N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 392.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23878887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).