4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol

C17H12F3N3OS — CID 169091862

IUPAC4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(NN=Cc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-5-1-11(2-6-13)9-21-23-16-22-15(10-25-16)12-3-7-14(24)8-4-12/h1-10,24H,(H,22,23)
InChIKeyUJRIQLZKWJAYBV-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.98
Rot. Bonds4

About 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol

4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol (PubChem CID 169091862) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
PubChem CID169091862
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(NN=Cc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-5-1-11(2-6-13)9-21-23-16-22-15(10-25-16)12-3-7-14(24)8-4-12/h1-10,24H,(H,22,23)
InChIKeyUJRIQLZKWJAYBV-UHFFFAOYSA-N
XLogP4.98
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.98
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-[(E)-(3,4-difluorophenyl)methylideneamino]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 155542324
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
2-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625820
4-[(Z)-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135788950
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578036
4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577407
4-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577559
4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577659
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol (CID 169091862) is 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol is Oc1ccc(-c2csc(NN=Cc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The InChIKey is UJRIQLZKWJAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)13-5-1-11(2-6-13)9-21-23-16-22-15(10-25-16)12-3-7-14(24)8-4-12/h1-10,24H,(H,22,23).
What are the key properties of 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol has a molecular weight of 363.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 169091862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).