2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol

C20H22N2O3S — CID 16955782

IUPAC2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2CCO)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-14-4-7-16(8-5-14)21-20-22(10-11-23)17(13-26-20)15-6-9-18(24-2)19(12-15)25-3/h4-9,12-13,23H,10-11H2,1-3H3/b21-20-
InChIKeyMMVJMBNRYZNBNA-MRCUWXFGSA-N
MW370.47 g/mol
LogP3.77
Rot. Bonds6

About 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol

2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol (PubChem CID 16955782) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
PubChem CID16955782
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2CCO)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-14-4-7-16(8-5-14)21-20-22(10-11-23)17(13-26-20)15-6-9-18(24-2)19(12-15)25-3/h4-9,12-13,23H,10-11H2,1-3H3/b21-20-
InChIKeyMMVJMBNRYZNBNA-MRCUWXFGSA-N
XLogP3.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol (CID 16955782) is 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol is COc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2CCO)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The InChIKey is MMVJMBNRYZNBNA-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-4-7-16(8-5-14)21-20-22(10-11-23)17(13-26-20)15-6-9-18(24-2)19(12-15)25-3/h4-9,12-13,23H,10-11H2,1-3H3/b21-20-.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol has a molecular weight of 370.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 16955782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).