4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C18H17N3O2S — CID 3664485

IUPAC4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2nc(NN=Cc3ccc(O)cc3)sc2C)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-17(14-5-9-16(23-2)10-6-14)20-18(24-12)21-19-11-13-3-7-15(22)8-4-13/h3-11,22H,1-2H3,(H,20,21)
InChIKeyCIDBHRPIJVVOHY-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.28
Rot. Bonds5

About 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 3664485) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID3664485
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2nc(NN=Cc3ccc(O)cc3)sc2C)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-17(14-5-9-16(23-2)10-6-14)20-18(24-12)21-19-11-13-3-7-15(22)8-4-13/h3-11,22H,1-2H3,(H,20,21)
InChIKeyCIDBHRPIJVVOHY-UHFFFAOYSA-N
XLogP4.28
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
4-[(Z)-[(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822239
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
methyl 2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136926687
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 156787895
2-methoxy-4-[(Z)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 136926626
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110339348

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 3664485) is 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is COc1ccc(-c2nc(NN=Cc3ccc(O)cc3)sc2C)cc1.
What is the InChIKey of 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is CIDBHRPIJVVOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-17(14-5-9-16(23-2)10-6-14)20-18(24-12)21-19-11-13-3-7-15(22)8-4-13/h3-11,22H,1-2H3,(H,20,21).
What are the key properties of 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 339.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3664485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).