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

C19H17FN4O2S — CID 4855631

IUPAC5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c1-2-22-19-24(23-10-12-3-6-14(20)7-4-12)16(11-27-19)13-5-8-17(25)15(9-13)18(21)26/h3-11,25H,2H2,1H3,(H2,21,26)/b22-19-,23-10?
InChIKeyZDORORJHPDGCOW-FAXQHCPZSA-N
MW384.44 g/mol
LogP2.96
Rot. Bonds5

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

5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 4855631) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID4855631
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c1-2-22-19-24(23-10-12-3-6-14(20)7-4-12)16(11-27-19)13-5-8-17(25)15(9-13)18(21)26/h3-11,25H,2H2,1H3,(H2,21,26)/b22-19-,23-10?
InChIKeyZDORORJHPDGCOW-FAXQHCPZSA-N
XLogP2.96
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.96
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-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 4855631) is 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide is CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccc(F)cc1.
What is the InChIKey of 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is ZDORORJHPDGCOW-FAXQHCPZSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-2-22-19-24(23-10-12-3-6-14(20)7-4-12)16(11-27-19)13-5-8-17(25)15(9-13)18(21)26/h3-11,25H,2H2,1H3,(H2,21,26)/b22-19-,23-10?.
What are the key properties of 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 384.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethylimino-3-[(4-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 4855631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).