N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine

C22H29N3O2S — CID 23936843

IUPACN-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\C3CCCCC3)n2N=C2CCCC2)c(OC)c1
InChIInChI=1S/C22H29N3O2S/c1-26-18-12-13-19(21(14-18)27-2)20-15-28-22(23-16-8-4-3-5-9-16)25(20)24-17-10-6-7-11-17/h12-16H,3-11H2,1-2H3/b23-22-
InChIKeyIVANUJJOWXVTHH-FCQUAONHSA-N
MW399.56 g/mol
LogP5.25
Rot. Bonds5

About N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine

N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23936843) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23936843
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\C3CCCCC3)n2N=C2CCCC2)c(OC)c1
InChIInChI=1S/C22H29N3O2S/c1-26-18-12-13-19(21(14-18)27-2)20-15-28-22(23-16-8-4-3-5-9-16)25(20)24-17-10-6-7-11-17/h12-16H,3-11H2,1-2H3/b23-22-
InChIKeyIVANUJJOWXVTHH-FCQUAONHSA-N
XLogP5.25
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 55.25
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

4-[[2-cyclohexylimino-4-(2,5-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-2-ethoxyphenol
CID 135822869
N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23878887
N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine
CID 2388262
2-[N-[2-cyclohexylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 4039525
4-(2,4-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23732067
3-(cyclohexylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 4831445
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23770098
4-[[4-(2,4-dimethoxyphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135709941
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
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-[(2R)-2-phenylpropylidene]amino]-1,3-thiazol-2-imine
CID 8003103
4-[2-cyclopropylimino-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 46698925

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine (CID 23936843) is N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\C3CCCCC3)n2N=C2CCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is IVANUJJOWXVTHH-FCQUAONHSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-26-18-12-13-19(21(14-18)27-2)20-15-28-22(23-16-8-4-3-5-9-16)25(20)24-17-10-6-7-11-17/h12-16H,3-11H2,1-2H3/b23-22-.
What are the key properties of N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine?
N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 399.56 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23936843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).