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

C18H15FN4O2S — CID 7975125

IUPAC5-[3-[(Z)-(3-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\c1cccc(F)c1
InChIInChI=1S/C18H15FN4O2S/c1-21-18-23(22-9-11-3-2-4-13(19)7-11)15(10-26-18)12-5-6-16(24)14(8-12)17(20)25/h2-10,24H,1H3,(H2,20,25)/b21-18-,22-9-
InChIKeyOMSDPSDLOFPTGT-RSVVFHGTSA-N
MW370.41 g/mol
LogP2.57
Rot. Bonds4

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

5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 7975125) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID7975125
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name5-[3-[(Z)-(3-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\c1cccc(F)c1
InChIInChI=1S/C18H15FN4O2S/c1-21-18-23(22-9-11-3-2-4-13(19)7-11)15(10-26-18)12-5-6-16(24)14(8-12)17(20)25/h2-10,24H,1H3,(H2,20,25)/b21-18-,22-9-
InChIKeyOMSDPSDLOFPTGT-RSVVFHGTSA-N
XLogP2.57
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.57
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)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 7975125) is 5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-[(Z)-(3-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\c1cccc(F)c1.
What is the InChIKey of 5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is OMSDPSDLOFPTGT-RSVVFHGTSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-21-18-23(22-9-11-3-2-4-13(19)7-11)15(10-26-18)12-5-6-16(24)14(8-12)17(20)25/h2-10,24H,1H3,(H2,20,25)/b21-18-,22-9-.
What are the key properties of 5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 370.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 7975125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).