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

C12H10F3N3O2S — CID 168619251

IUPAC4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol
SMILESCc1csc(NN=Cc2ccc(O)c(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H10F3N3O2S/c1-7-6-21-11(17-7)18-16-5-8-2-3-9(19)10(4-8)20-12(13,14)15/h2-6,19H,1H3,(H,17,18)
InChIKeyDLRLRQAJQMEZJU-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.50
Rot. Bonds4

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

4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol (PubChem CID 168619251) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol
PubChem CID168619251
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol
SMILESCc1csc(NN=Cc2ccc(O)c(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H10F3N3O2S/c1-7-6-21-11(17-7)18-16-5-8-2-3-9(19)10(4-8)20-12(13,14)15/h2-6,19H,1H3,(H,17,18)
InChIKeyDLRLRQAJQMEZJU-UHFFFAOYSA-N
XLogP3.50
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.50
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-iodo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619225
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(trifluoromethoxy)phenol
CID 168617008
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
CID 168619127
4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
CID 168619215
[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 168616854
4-methyl-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616900
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
N-[(4-fluoro-3-pentoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617263
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 40548174
4-methyl-N-[(4-methyl-3-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168617551

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol (CID 168619251) is 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol is Cc1csc(NN=Cc2ccc(O)c(OC(F)(F)F)c2)n1.
What is the InChIKey of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol?
The InChIKey is DLRLRQAJQMEZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7-6-21-11(17-7)18-16-5-8-2-3-9(19)10(4-8)20-12(13,14)15/h2-6,19H,1H3,(H,17,18).
What are the key properties of 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol?
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol has a molecular weight of 317.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 168619251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).