4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine

C19H18IN3O2S — CID 23855315

IUPAC4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=Cc1ccccc1I
InChIInChI=1S/C19H18IN3O2S/c1-21-19-23(22-11-13-6-4-5-7-16(13)20)17(12-26-19)15-10-14(24-2)8-9-18(15)25-3/h4-12H,1-3H3/b21-19-,22-11?
InChIKeyUESKXXOMHHTTLP-VXVAVIQKSA-N
MW479.34 g/mol
LogP4.25
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine

4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 23855315) has the molecular formula C19H18IN3O2S and a molecular weight of 479.34 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID23855315
Molecular FormulaC19H18IN3O2S
Molecular Weight479.34 g/mol
Exact Mass479.02
IUPAC Name4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=Cc1ccccc1I
InChIInChI=1S/C19H18IN3O2S/c1-21-19-23(22-11-13-6-4-5-7-16(13)20)17(12-26-19)15-10-14(24-2)8-9-18(15)25-3/h4-12H,1-3H3/b21-19-,22-11?
InChIKeyUESKXXOMHHTTLP-VXVAVIQKSA-N
XLogP4.25
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2,5-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135592033
4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23879982
4-bromo-2-[[4-(2,4-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135778653
4-[[4-(2,5-dimethoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135813503
3-[(2-iodophenyl)methylideneamino]-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23878396
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23734286
2,6-dibromo-4-[[4-(2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135843358
1-[[4-(2,5-dimethoxyphenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]naphthalen-2-ol
CID 135776075
4-(2,4-dimethoxyphenyl)-3-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23800240
4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135769167
4-(2,5-dimethoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23850523

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 23855315) is 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(OC)ccc2OC)n1N=Cc1ccccc1I.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is UESKXXOMHHTTLP-VXVAVIQKSA-N. The full InChI is InChI=1S/C19H18IN3O2S/c1-21-19-23(22-11-13-6-4-5-7-16(13)20)17(12-26-19)15-10-14(24-2)8-9-18(15)25-3/h4-12H,1-3H3/b21-19-,22-11?.
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 479.34 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23855315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).