3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

C23H25N3O3S — CID 23796469

IUPAC3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1N=C1CCCc2ccccc21
InChIInChI=1S/C23H25N3O3S/c1-24-23-26(25-18-11-7-9-15-8-5-6-10-17(15)18)19(14-30-23)16-12-20(27-2)22(29-4)21(13-16)28-3/h5-6,8,10,12-14H,7,9,11H2,1-4H3/b24-23-,25-18?
InChIKeyDWPQPBNXLXUDIU-GZLSKJAYSA-N
MW423.54 g/mol
LogP4.36
Rot. Bonds5

About 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23796469) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23796469
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1N=C1CCCc2ccccc21
InChIInChI=1S/C23H25N3O3S/c1-24-23-26(25-18-11-7-9-15-8-5-6-10-17(15)18)19(14-30-23)16-12-20(27-2)22(29-4)21(13-16)28-3/h5-6,8,10,12-14H,7,9,11H2,1-4H3/b24-23-,25-18?
InChIKeyDWPQPBNXLXUDIU-GZLSKJAYSA-N
XLogP4.36
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (CID 23796469) is 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1N=C1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is DWPQPBNXLXUDIU-GZLSKJAYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-24-23-26(25-18-11-7-9-15-8-5-6-10-17(15)18)19(14-30-23)16-12-20(27-2)22(29-4)21(13-16)28-3/h5-6,8,10,12-14H,7,9,11H2,1-4H3/b24-23-,25-18?.
What are the key properties of 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 423.54 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23796469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).