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

C16H12IN3OS — CID 168579252

IUPAC4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(I)c(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H12IN3OS/c17-14-7-6-13(21)8-12(14)9-18-20-16-19-15(10-22-16)11-4-2-1-3-5-11/h1-10,21H,(H,19,20)
InChIKeyHFLWAZHTCDKVJB-UHFFFAOYSA-N
MW421.26 g/mol
LogP4.57
Rot. Bonds4

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

4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168579252) has the molecular formula C16H12IN3OS and a molecular weight of 421.26 g/mol. Its IUPAC name is 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168579252
Molecular FormulaC16H12IN3OS
Molecular Weight421.26 g/mol
Exact Mass420.97
IUPAC Name4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(I)c(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H12IN3OS/c17-14-7-6-13(21)8-12(14)9-18-20-16-19-15(10-22-16)11-4-2-1-3-5-11/h1-10,21H,(H,19,20)
InChIKeyHFLWAZHTCDKVJB-UHFFFAOYSA-N
XLogP4.57
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.26
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577667
4-iodo-3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168618025
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577440
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
2-iodo-6-methoxy-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168578076

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 168579252) is 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Oc1ccc(I)c(C=NNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is HFLWAZHTCDKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3OS/c17-14-7-6-13(21)8-12(14)9-18-20-16-19-15(10-22-16)11-4-2-1-3-5-11/h1-10,21H,(H,19,20).
What are the key properties of 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 421.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168579252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).