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

C19H19ClN2O2S — CID 51370288

IUPAC2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCO)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-2-24-17-9-3-14(4-10-17)18-13-25-19(22(18)11-12-23)21-16-7-5-15(20)6-8-16/h3-10,13,23H,2,11-12H2,1H3/b21-19-
InChIKeyXTYHVOPIHDTYAW-VZCXRCSSSA-N
MW374.89 g/mol
LogP4.49
Rot. Bonds6

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

2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol (PubChem CID 51370288) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
PubChem CID51370288
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCO)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-2-24-17-9-3-14(4-10-17)18-13-25-19(22(18)11-12-23)21-16-7-5-15(20)6-8-16/h3-10,13,23H,2,11-12H2,1H3/b21-19-
InChIKeyXTYHVOPIHDTYAW-VZCXRCSSSA-N
XLogP4.49
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.49
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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Related Compounds

2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881
2-[4-(4-tert-butylphenyl)-2-(4-chlorophenyl)imino-1,3-thiazol-3-yl]ethanol
CID 138392602
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994
3-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]propan-1-ol
CID 2716833
3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 3744406
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
CID 45125365
3-[4-(5-chlorothiophen-2-yl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]propan-1-ol
CID 3512885
2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol (CID 51370288) is 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol is CCOc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCO)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol?
The InChIKey is XTYHVOPIHDTYAW-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-2-24-17-9-3-14(4-10-17)18-13-25-19(22(18)11-12-23)21-16-7-5-15(20)6-8-16/h3-10,13,23H,2,11-12H2,1H3/b21-19-.
What are the key properties of 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol?
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol has a molecular weight of 374.89 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 51370288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).