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

C14H17N3OS — CID 3422737

IUPAC3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1csc(NN=Cc2cccc(O)c2)n1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12-9-19-13(16-12)17-15-8-10-5-4-6-11(18)7-10/h4-9,18H,1-3H3,(H,16,17)
InChIKeyREGKIQUFKNFTBY-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.59
Rot. Bonds3

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

3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 3422737) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID3422737
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1csc(NN=Cc2cccc(O)c2)n1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)12-9-19-13(16-12)17-15-8-10-5-4-6-11(18)7-10/h4-9,18H,1-3H3,(H,16,17)
InChIKeyREGKIQUFKNFTBY-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine
CID 2880844
3-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110537464
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 4701560
2-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627876
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 3422737) is 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is CC(C)(C)c1csc(NN=Cc2cccc(O)c2)n1.
What is the InChIKey of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is REGKIQUFKNFTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)12-9-19-13(16-12)17-15-8-10-5-4-6-11(18)7-10/h4-9,18H,1-3H3,(H,16,17).
What are the key properties of 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
3-[[(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 3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3422737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).