3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

C17H16N2OS — CID 2806537

IUPAC3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C17H16N2OS/c1-12-3-5-13(6-4-12)16-11-21-17(18)19(16)14-7-9-15(20-2)10-8-14/h3-11,18H,1-2H3/b18-17-
InChIKeyGVNPBMCPARVBRT-ZCXUNETKSA-N
MW296.40 g/mol
LogP4.00
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 2806537) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID2806537
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C17H16N2OS/c1-12-3-5-13(6-4-12)16-11-21-17(18)19(16)14-7-9-15(20-2)10-8-14/h3-11,18H,1-2H3/b18-17-
InChIKeyGVNPBMCPARVBRT-ZCXUNETKSA-N
XLogP4.00
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 2806537) is 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is [H]/N=c1\scc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is GVNPBMCPARVBRT-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-3-5-13(6-4-12)16-11-21-17(18)19(16)14-7-9-15(20-2)10-8-14/h3-11,18H,1-2H3/b18-17-.
What are the key properties of 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 296.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2806537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).