3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol

C18H14ClN3OS — CID 173040471

IUPAC3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol
SMILESOc1cccc(C=C/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C18H14ClN3OS/c19-15-8-6-14(7-9-15)17-12-24-18(21-17)22-20-10-2-4-13-3-1-5-16(23)11-13/h1-12,23H,(H,21,22)/b4-2?,20-10+
InChIKeyLAWSDOLLQAZRPD-UXFXDHAXSA-N
MW355.85 g/mol
LogP5.28
Rot. Bonds5

About 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol

3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol (PubChem CID 173040471) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol.

Molecular Properties

Compound Name3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol
PubChem CID173040471
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol
SMILESOc1cccc(C=C/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C18H14ClN3OS/c19-15-8-6-14(7-9-15)17-12-24-18(21-17)22-20-10-2-4-13-3-1-5-16(23)11-13/h1-12,23H,(H,21,22)/b4-2?,20-10+
InChIKeyLAWSDOLLQAZRPD-UXFXDHAXSA-N
XLogP5.28
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
1-[3-[(3E)-3-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenyl]ethanone
CID 173040473
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270491
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135714039
4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 4873244
4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135608314
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 126048114
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136781775
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
2-[(E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-C-methylcarbonimidoyl]benzene-1,3,5-triol
CID 136503698

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol?
The IUPAC name of 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol (CID 173040471) is 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol.
What is the SMILES notation for 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol?
The canonical SMILES for 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol is Oc1cccc(C=C/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol?
The InChIKey is LAWSDOLLQAZRPD-UXFXDHAXSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-15-8-6-14(7-9-15)17-12-24-18(21-17)22-20-10-2-4-13-3-1-5-16(23)11-13/h1-12,23H,(H,21,22)/b4-2?,20-10+.
What are the key properties of 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol?
3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol has a molecular weight of 355.85 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol is sourced from PubChem (CID 173040471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).