5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide

C14H17N3O2S — CID 4848309

IUPAC5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide
SMILESCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1CC
InChIInChI=1S/C14H17N3O2S/c1-3-16-14-17(4-2)11(8-20-14)9-5-6-12(18)10(7-9)13(15)19/h5-8,18H,3-4H2,1-2H3,(H2,15,19)/b16-14-
InChIKeyVHEGHEYCKSEMAB-PEZBUJJGSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds4

About 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide

5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide (PubChem CID 4848309) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide
PubChem CID4848309
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide
SMILESCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1CC
InChIInChI=1S/C14H17N3O2S/c1-3-16-14-17(4-2)11(8-20-14)9-5-6-12(18)10(7-9)13(15)19/h5-8,18H,3-4H2,1-2H3,(H2,15,19)/b16-14-
InChIKeyVHEGHEYCKSEMAB-PEZBUJJGSA-N
XLogP1.96
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide?
The IUPAC name of 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide (CID 4848309) is 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide is CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1CC.
What is the InChIKey of 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide?
The InChIKey is VHEGHEYCKSEMAB-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-16-14-17(4-2)11(8-20-14)9-5-6-12(18)10(7-9)13(15)19/h5-8,18H,3-4H2,1-2H3,(H2,15,19)/b16-14-.
What are the key properties of 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide?
5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide has a molecular weight of 291.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-2-ethylimino-1,3-thiazol-4-yl)-2-hydroxybenzamide is sourced from PubChem (CID 4848309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).