5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

C18H14F2N4O2S — CID 7975104

IUPAC5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N4O2S/c1-22-18-24(23-8-11-2-4-12(19)7-14(11)20)15(9-27-18)10-3-5-16(25)13(6-10)17(21)26/h2-9,25H,1H3,(H2,21,26)/b22-18-,23-8-
InChIKeyBNPLRTVLZOUQTE-QCVIIIICSA-N
MW388.40 g/mol
LogP2.71
Rot. Bonds4

About 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 7975104) has the molecular formula C18H14F2N4O2S and a molecular weight of 388.40 g/mol. Its IUPAC name is 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID7975104
Molecular FormulaC18H14F2N4O2S
Molecular Weight388.40 g/mol
Exact Mass388.08
IUPAC Name5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N4O2S/c1-22-18-24(23-8-11-2-4-12(19)7-14(11)20)15(9-27-18)10-3-5-16(25)13(6-10)17(21)26/h2-9,25H,1H3,(H2,21,26)/b22-18-,23-8-
InChIKeyBNPLRTVLZOUQTE-QCVIIIICSA-N
XLogP2.71
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[3-Cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 9101646
5-[3-(Cyclopentylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 8894889
5-[2-ethylimino-3-[(E)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 9684517
5-[2-ethylimino-3-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 9684743
3-(4-Hydroxy-3-methylphenyl)-6-phenyl-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 129824245
5-[2-Ethylimino-3-[(2-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 4849259
5-[2-Ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 4855631
5-[2-ethylimino-3-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 6218794
5-[2-ethylimino-3-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 6219629
5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 7974823
5-[2-butylimino-3-[(Z)-(3-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 7975018
5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 7975125

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 7975104) is 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is C/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1ccc(F)cc1F.
What is the InChIKey of 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is BNPLRTVLZOUQTE-QCVIIIICSA-N. The full InChI is InChI=1S/C18H14F2N4O2S/c1-22-18-24(23-8-11-2-4-12(19)7-14(11)20)15(9-27-18)10-3-5-16(25)13(6-10)17(21)26/h2-9,25H,1H3,(H2,21,26)/b22-18-,23-8-.
What are the key properties of 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 388.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 7975104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).