5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide

C21H20FN3O2S — CID 9101646

IUPAC5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2cs/c(=N\c3ccccc3F)n2C2CCCC2)ccc1O
InChIInChI=1S/C21H20FN3O2S/c22-16-7-3-4-8-17(16)24-21-25(14-5-1-2-6-14)18(12-28-21)13-9-10-19(26)15(11-13)20(23)27/h3-4,7-12,14,26H,1-2,5-6H2,(H2,23,27)/b24-21-
InChIKeyOZNZKAMRAHZMJK-FLFQWRMESA-N
MW397.48 g/mol
LogP4.51
Rot. Bonds4

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

5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 9101646) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID9101646
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2cs/c(=N\c3ccccc3F)n2C2CCCC2)ccc1O
InChIInChI=1S/C21H20FN3O2S/c22-16-7-3-4-8-17(16)24-21-25(14-5-1-2-6-14)18(12-28-21)13-9-10-19(26)15(11-13)20(23)27/h3-4,7-12,14,26H,1-2,5-6H2,(H2,23,27)/b24-21-
InChIKeyOZNZKAMRAHZMJK-FLFQWRMESA-N
XLogP4.51
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.51
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-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 9101646) is 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide is NC(=O)c1cc(-c2cs/c(=N\c3ccccc3F)n2C2CCCC2)ccc1O.
What is the InChIKey of 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is OZNZKAMRAHZMJK-FLFQWRMESA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-16-7-3-4-8-17(16)24-21-25(14-5-1-2-6-14)18(12-28-21)13-9-10-19(26)15(11-13)20(23)27/h3-4,7-12,14,26H,1-2,5-6H2,(H2,23,27)/b24-21-.
What are the key properties of 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 9101646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).