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

C20H22N2O4S — CID 16955777

IUPAC2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(/N=c2\scc(-c3ccc(OC)c(OC)c3)n2CCO)cc1
InChIInChI=1S/C20H22N2O4S/c1-24-16-7-5-15(6-8-16)21-20-22(10-11-23)17(13-27-20)14-4-9-18(25-2)19(12-14)26-3/h4-9,12-13,23H,10-11H2,1-3H3/b21-20-
InChIKeyQSPWOTFBMRUOEN-MRCUWXFGSA-N
MW386.47 g/mol
LogP3.47
Rot. Bonds7

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

2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol (PubChem CID 16955777) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
PubChem CID16955777
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(/N=c2\scc(-c3ccc(OC)c(OC)c3)n2CCO)cc1
InChIInChI=1S/C20H22N2O4S/c1-24-16-7-5-15(6-8-16)21-20-22(10-11-23)17(13-27-20)14-4-9-18(25-2)19(12-14)26-3/h4-9,12-13,23H,10-11H2,1-3H3/b21-20-
InChIKeyQSPWOTFBMRUOEN-MRCUWXFGSA-N
XLogP3.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol (CID 16955777) is 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol is COc1ccc(/N=c2\scc(-c3ccc(OC)c(OC)c3)n2CCO)cc1.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The InChIKey is QSPWOTFBMRUOEN-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-24-16-7-5-15(6-8-16)21-20-22(10-11-23)17(13-27-20)14-4-9-18(25-2)19(12-14)26-3/h4-9,12-13,23H,10-11H2,1-3H3/b21-20-.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol has a molecular weight of 386.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 16955777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).