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

C17H14ClFN2OS — CID 3675136

IUPAC2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2OS/c18-13-3-7-15(8-4-13)20-17-21(9-10-22)16(11-23-17)12-1-5-14(19)6-2-12/h1-8,11,22H,9-10H2/b20-17-
InChIKeyGBVDOJQVKUPZGQ-JZJYNLBNSA-N
MW348.83 g/mol
LogP4.23
Rot. Bonds4

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

2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol (PubChem CID 3675136) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
PubChem CID3675136
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC Name2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2OS/c18-13-3-7-15(8-4-13)20-17-21(9-10-22)16(11-23-17)12-1-5-14(19)6-2-12/h1-8,11,22H,9-10H2/b20-17-
InChIKeyGBVDOJQVKUPZGQ-JZJYNLBNSA-N
XLogP4.23
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.23
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 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol (CID 3675136) is 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol is OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol?
The InChIKey is GBVDOJQVKUPZGQ-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c18-13-3-7-15(8-4-13)20-17-21(9-10-22)16(11-23-17)12-1-5-14(19)6-2-12/h1-8,11,22H,9-10H2/b20-17-.
What are the key properties of 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol?
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol has a molecular weight of 348.83 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 3675136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).