4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol

C22H16ClN3OS — CID 135801855

IUPAC4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol
SMILESN/N=C(\c1ccc(O)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H16ClN3OS/c23-17-10-6-14(7-11-17)19-21(16-4-2-1-3-5-16)28-22(25-19)20(26-24)15-8-12-18(27)13-9-15/h1-13,27H,24H2/b26-20+
InChIKeyLCQWZVBPHSMCFA-LHLOQNFPSA-N
MW405.91 g/mol
LogP5.55
Rot. Bonds4

About 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol

4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol (PubChem CID 135801855) has the molecular formula C22H16ClN3OS and a molecular weight of 405.91 g/mol. Its IUPAC name is 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol
PubChem CID135801855
Molecular FormulaC22H16ClN3OS
Molecular Weight405.91 g/mol
Exact Mass405.07
IUPAC Name4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol
SMILESN/N=C(\c1ccc(O)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H16ClN3OS/c23-17-10-6-14(7-11-17)19-21(16-4-2-1-3-5-16)28-22(25-19)20(26-24)15-8-12-18(27)13-9-15/h1-13,27H,24H2/b26-20+
InChIKeyLCQWZVBPHSMCFA-LHLOQNFPSA-N
XLogP5.55
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.91
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
CID 21409060
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 2806453
4-(4-chlorophenyl)-1,3-thiazole-2,5-dicarboxylic acid
CID 118611364
2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine
CID 3147443
[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-(3-phenylprop-2-enyl)diazene
CID 91218198
4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
CID 136805911
2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 42945443
4,5-bis(4-chlorophenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209660

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol?
The IUPAC name of 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol (CID 135801855) is 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol.
What is the SMILES notation for 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol?
The canonical SMILES for 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol is N/N=C(\c1ccc(O)cc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1.
What is the InChIKey of 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol?
The InChIKey is LCQWZVBPHSMCFA-LHLOQNFPSA-N. The full InChI is InChI=1S/C22H16ClN3OS/c23-17-10-6-14(7-11-17)19-21(16-4-2-1-3-5-16)28-22(25-19)20(26-24)15-8-12-18(27)13-9-15/h1-13,27H,24H2/b26-20+.
What are the key properties of 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol?
4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol has a molecular weight of 405.91 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]carbonohydrazonoyl]phenol is sourced from PubChem (CID 135801855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).