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

C18H17ClN2OS — CID 755123

IUPAC2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCc1ccc(-c2cs/c(=N\c3cccc(Cl)c3)n2CCO)cc1
InChIInChI=1S/C18H17ClN2OS/c1-13-5-7-14(8-6-13)17-12-23-18(21(17)9-10-22)20-16-4-2-3-15(19)11-16/h2-8,11-12,22H,9-10H2,1H3/b20-18-
InChIKeyRNJZKHNPIQJEHT-ZZEZOPTASA-N
MW344.87 g/mol
LogP4.40
Rot. Bonds4

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

2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol (PubChem CID 755123) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
PubChem CID755123
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCc1ccc(-c2cs/c(=N\c3cccc(Cl)c3)n2CCO)cc1
InChIInChI=1S/C18H17ClN2OS/c1-13-5-7-14(8-6-13)17-12-23-18(21(17)9-10-22)20-16-4-2-3-15(19)11-16/h2-8,11-12,22H,9-10H2,1H3/b20-18-
InChIKeyRNJZKHNPIQJEHT-ZZEZOPTASA-N
XLogP4.40
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.40
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-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol (CID 755123) is 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol is Cc1ccc(-c2cs/c(=N\c3cccc(Cl)c3)n2CCO)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The InChIKey is RNJZKHNPIQJEHT-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-13-5-7-14(8-6-13)17-12-23-18(21(17)9-10-22)20-16-4-2-3-15(19)11-16/h2-8,11-12,22H,9-10H2,1H3/b20-18-.
What are the key properties of 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol has a molecular weight of 344.87 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 755123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).