4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C18H16ClN3OS — CID 168576736

IUPAC4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(Cl)c(C)c(C=NNc2nc(-c3ccccc3)cs2)c1O
InChIInChI=1S/C18H16ClN3OS/c1-11-8-15(19)12(2)14(17(11)23)9-20-22-18-21-16(10-24-18)13-6-4-3-5-7-13/h3-10,23H,1-2H3,(H,21,22)
InChIKeyUSORLMOCFLLCNK-UHFFFAOYSA-N
MW357.87 g/mol
LogP5.23
Rot. Bonds4

About 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168576736) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168576736
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(Cl)c(C)c(C=NNc2nc(-c3ccccc3)cs2)c1O
InChIInChI=1S/C18H16ClN3OS/c1-11-8-15(19)12(2)14(17(11)23)9-20-22-18-21-16(10-24-18)13-6-4-3-5-7-13/h3-10,23H,1-2H3,(H,21,22)
InChIKeyUSORLMOCFLLCNK-UHFFFAOYSA-N
XLogP5.23
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.87
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577585
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
2,4,6-tribromo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577785
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
[3-methyl-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168578894
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577370
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578178
3-methoxy-5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135571881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 168576736) is 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Cc1cc(Cl)c(C)c(C=NNc2nc(-c3ccccc3)cs2)c1O.
What is the InChIKey of 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is USORLMOCFLLCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-11-8-15(19)12(2)14(17(11)23)9-20-22-18-21-16(10-24-18)13-6-4-3-5-7-13/h3-10,23H,1-2H3,(H,21,22).
What are the key properties of 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 357.87 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168576736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).