2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol

C14H18N2O2S — CID 16955799

IUPAC2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(/N=c2\scc(C)n2CCO)cc1
InChIInChI=1S/C14H18N2O2S/c1-3-18-13-6-4-12(5-7-13)15-14-16(8-9-17)11(2)10-19-14/h4-7,10,17H,3,8-9H2,1-2H3/b15-14-
InChIKeyGSQBHPWGSRDMMO-PFONDFGASA-N
MW278.38 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol

2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol (PubChem CID 16955799) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol
PubChem CID16955799
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(/N=c2\scc(C)n2CCO)cc1
InChIInChI=1S/C14H18N2O2S/c1-3-18-13-6-4-12(5-7-13)15-14-16(8-9-17)11(2)10-19-14/h4-7,10,17H,3,8-9H2,1-2H3/b15-14-
InChIKeyGSQBHPWGSRDMMO-PFONDFGASA-N
XLogP2.48
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol (CID 16955799) is 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol is CCOc1ccc(/N=c2\scc(C)n2CCO)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol?
The InChIKey is GSQBHPWGSRDMMO-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-18-13-6-4-12(5-7-13)15-14-16(8-9-17)11(2)10-19-14/h4-7,10,17H,3,8-9H2,1-2H3/b15-14-.
What are the key properties of 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol?
2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol has a molecular weight of 278.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 16955799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).