4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

C18H18N4O2S — CID 23879982

IUPAC4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=Cc1ccncc1
InChIInChI=1S/C18H18N4O2S/c1-19-18-22(21-11-13-6-8-20-9-7-13)16(12-25-18)15-10-14(23-2)4-5-17(15)24-3/h4-12H,1-3H3/b19-18-,21-11?
InChIKeyZSUWQESISWYXRD-ZCJNEVSZSA-N
MW354.44 g/mol
LogP3.04
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23879982) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23879982
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=Cc1ccncc1
InChIInChI=1S/C18H18N4O2S/c1-19-18-22(21-11-13-6-8-20-9-7-13)16(12-25-18)15-10-14(23-2)4-5-17(15)24-3/h4-12H,1-3H3/b19-18-,21-11?
InChIKeyZSUWQESISWYXRD-ZCJNEVSZSA-N
XLogP3.04
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23855315
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23907138
4-(2,4-dimethoxyphenyl)-3-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23800240
2,6-dibromo-4-[[4-(2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135843358
N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide
CID 42937068
3-[(4-bromophenyl)methylideneamino]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23966226
4-[(E)-[4-(2,5-dimethoxyphenyl)-2-(2,3-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6906089
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
4-[N-[4-(2,5-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]-C-ethylcarbonimidoyl]phenol
CID 135772495

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23879982) is 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(OC)ccc2OC)n1N=Cc1ccncc1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is ZSUWQESISWYXRD-ZCJNEVSZSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-19-18-22(21-11-13-6-8-20-9-7-13)16(12-25-18)15-10-14(23-2)4-5-17(15)24-3/h4-12H,1-3H3/b19-18-,21-11?.
What are the key properties of 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 354.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23879982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).