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

C17H15ClN2OS — CID 683349

IUPAC2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15ClN2OS/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15/h1-9,12,21H,10-11H2/b19-17-
InChIKeyOTRWYCAAVFOOAB-ZPHPHTNESA-N
MW330.84 g/mol
LogP4.09
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (PubChem CID 683349) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
PubChem CID683349
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15ClN2OS/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15/h1-9,12,21H,10-11H2/b19-17-
InChIKeyOTRWYCAAVFOOAB-ZPHPHTNESA-N
XLogP4.09
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.09
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-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (CID 683349) is 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is OCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The InChIKey is OTRWYCAAVFOOAB-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15ClN2OS/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15/h1-9,12,21H,10-11H2/b19-17-.
What are the key properties of 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol has a molecular weight of 330.84 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 683349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).