2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol

C18H14F3N3O2S — CID 168578044

IUPAC2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol
SMILESOc1cc(OCC(F)(F)F)ccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)11-26-14-7-6-13(16(25)8-14)9-22-24-17-23-15(10-27-17)12-4-2-1-3-5-12/h1-10,25H,11H2,(H,23,24)
InChIKeyWVPWUXDMRXCKQP-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.90
Rot. Bonds6

About 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol

2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol (PubChem CID 168578044) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol.

Molecular Properties

Compound Name2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol
PubChem CID168578044
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol
SMILESOc1cc(OCC(F)(F)F)ccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)11-26-14-7-6-13(16(25)8-14)9-22-24-17-23-15(10-27-17)12-4-2-1-3-5-12/h1-10,25H,11H2,(H,23,24)
InChIKeyWVPWUXDMRXCKQP-UHFFFAOYSA-N
XLogP4.90
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577559
2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
CID 169383696
N-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578224
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 94841954
N-[(2-methyl-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577174
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168579252
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577667
N-[[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576686
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578202
5-bromo-2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577337

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol?
The IUPAC name of 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol (CID 168578044) is 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol.
What is the SMILES notation for 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol?
The canonical SMILES for 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol is Oc1cc(OCC(F)(F)F)ccc1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol?
The InChIKey is WVPWUXDMRXCKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-18(20,21)11-26-14-7-6-13(16(25)8-14)9-22-24-17-23-15(10-27-17)12-4-2-1-3-5-12/h1-10,25H,11H2,(H,23,24).
What are the key properties of 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol?
2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol has a molecular weight of 393.39 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol is sourced from PubChem (CID 168578044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).