4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine

C22H22N4O2S — CID 135769167

IUPAC4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2OC)n1N=Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O2S/c1-14-18(16-7-5-6-8-19(16)25-14)12-24-26-20(13-29-22(26)23-2)17-10-9-15(27-3)11-21(17)28-4/h5-13,25H,1-4H3/b23-22-,24-12?
InChIKeyZQZXGRUXNSPXPV-GOXAXDAUSA-N
MW406.51 g/mol
LogP4.44
Rot. Bonds5

About 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine

4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 135769167) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID135769167
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2OC)n1N=Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O2S/c1-14-18(16-7-5-6-8-19(16)25-14)12-24-26-20(13-29-22(26)23-2)17-10-9-15(27-3)11-21(17)28-4/h5-13,25H,1-4H3/b23-22-,24-12?
InChIKeyZQZXGRUXNSPXPV-GOXAXDAUSA-N
XLogP4.44
TPSA63.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135755880
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
CID 135593082
4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135584364
4-(2,4-dimethoxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781760
4-bromo-2-[[4-(2,4-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135778653
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 135765719
4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23855315
4-(2,4-dimethoxyphenyl)-3-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23800240
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
4-(2,5-dichlorophenyl)-N-methyl-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23879515
4-(2,4-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23732067
2-[[4-(2,5-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135592033

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (CID 135769167) is 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(OC)cc2OC)n1N=Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is ZQZXGRUXNSPXPV-GOXAXDAUSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-18(16-7-5-6-8-19(16)25-14)12-24-26-20(13-29-22(26)23-2)17-10-9-15(27-3)11-21(17)28-4/h5-13,25H,1-4H3/b23-22-,24-12?.
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 406.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 135769167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).