4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C14H17N3OS — CID 135492169

IUPAC4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1csc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12-9-19-13(16-12)17-15-8-10-4-6-11(18)7-5-10/h4-9,18H,1-3H3,(H,16,17)/b15-8+
InChIKeyXHBLIFOARKINLT-OVCLIPMQSA-N
MW275.38 g/mol
LogP3.59
Rot. Bonds3

About 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135492169) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135492169
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1csc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12-9-19-13(16-12)17-15-8-10-4-6-11(18)7-5-10/h4-9,18H,1-3H3,(H,16,17)/b15-8+
InChIKeyXHBLIFOARKINLT-OVCLIPMQSA-N
XLogP3.59
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-{(1E)-1-[2-(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]ethyl}phenol
CID 135492174
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 10399728
1-(3-Hydroxyphenyl)ethanone (4-methyl-1,3-thiazol-2-yl)hydrazone
CID 9648256
4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136961372
2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784
4-(2-Hydroxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
CID 135923310
Anisaldehyde 4,5-dimethylthiazolyl-hydrazone
CID 5710479
4-{(E)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135454468
4-bromo-2-{(E)-[2-(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135685007
4-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162663738
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 178311893
2-[(E)-1-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 172447401

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135492169) is 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is CC(C)(C)c1csc(N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is XHBLIFOARKINLT-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)12-9-19-13(16-12)17-15-8-10-4-6-11(18)7-5-10/h4-9,18H,1-3H3,(H,16,17)/b15-8+.
What are the key properties of 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 275.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135492169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).