5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

C19H16F2N4O2S — CID 7974823

IUPAC5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1c(F)cccc1F
InChIInChI=1S/C19H16F2N4O2S/c1-2-23-19-25(24-9-13-14(20)4-3-5-15(13)21)16(10-28-19)11-6-7-17(26)12(8-11)18(22)27/h3-10,26H,2H2,1H3,(H2,22,27)/b23-19-,24-9-
InChIKeyVPPPQQNGRXATPC-YMZSNMJMSA-N
MW402.43 g/mol
LogP3.10
Rot. Bonds5

About 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 7974823) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID7974823
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1c(F)cccc1F
InChIInChI=1S/C19H16F2N4O2S/c1-2-23-19-25(24-9-13-14(20)4-3-5-15(13)21)16(10-28-19)11-6-7-17(26)12(8-11)18(22)27/h3-10,26H,2H2,1H3,(H2,22,27)/b23-19-,24-9-
InChIKeyVPPPQQNGRXATPC-YMZSNMJMSA-N
XLogP3.10
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.10
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
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-[2-butylimino-3-[(Z)-(3-fluorophenyl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 7975018
5-[3-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 7975104
5-[3-[(Z)-(3-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 7975125
5-[3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 7975135

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 7974823) is 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C\c1c(F)cccc1F.
What is the InChIKey of 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is VPPPQQNGRXATPC-YMZSNMJMSA-N. The full InChI is InChI=1S/C19H16F2N4O2S/c1-2-23-19-25(24-9-13-14(20)4-3-5-15(13)21)16(10-28-19)11-6-7-17(26)12(8-11)18(22)27/h3-10,26H,2H2,1H3,(H2,22,27)/b23-19-,24-9-.
What are the key properties of 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 402.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-ethylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 7974823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).