5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

C18H14ClFN4O2S — CID 7975135

IUPAC5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN4O2S/c1-22-18-24(23-8-12-13(19)3-2-4-14(12)20)15(9-27-18)10-5-6-16(25)11(7-10)17(21)26/h2-9,25H,1H3,(H2,21,26)/b22-18-,23-8-
InChIKeyXIONJTNGXYZYRL-QCVIIIICSA-N
MW404.85 g/mol
LogP3.23
Rot. Bonds4

About 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 7975135) has the molecular formula C18H14ClFN4O2S and a molecular weight of 404.85 g/mol. Its IUPAC name is 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID7975135
Molecular FormulaC18H14ClFN4O2S
Molecular Weight404.85 g/mol
Exact Mass404.05
IUPAC Name5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN4O2S/c1-22-18-24(23-8-12-13(19)3-2-4-14(12)20)15(9-27-18)10-5-6-16(25)11(7-10)17(21)26/h2-9,25H,1H3,(H2,21,26)/b22-18-,23-8-
InChIKeyXIONJTNGXYZYRL-QCVIIIICSA-N
XLogP3.23
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 7975135) is 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-[(Z)-(2-chloro-6-fluorophenyl)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\c1c(F)cccc1Cl.
What is the InChIKey of 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is XIONJTNGXYZYRL-QCVIIIICSA-N. The full InChI is InChI=1S/C18H14ClFN4O2S/c1-22-18-24(23-8-12-13(19)3-2-4-14(12)20)15(9-27-18)10-5-6-16(25)11(7-10)17(21)26/h2-9,25H,1H3,(H2,21,26)/b22-18-,23-8-.
What are the key properties of 5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 404.85 g/mol, XLogP of 3.23, 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-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 7975135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).