8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione

C14H16N2O3S2 — CID 158905232

IUPAC8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione
SMILESO=C(CO)CCCCCC(=O)c1csc(-c2nccs2)n1
InChIInChI=1S/C14H16N2O3S2/c17-8-10(18)4-2-1-3-5-12(19)11-9-21-14(16-11)13-15-6-7-20-13/h6-7,9,17H,1-5,8H2
InChIKeyJFYPLKNKDYIWET-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.96
Rot. Bonds9

About 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione

8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione (PubChem CID 158905232) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione.

Molecular Properties

Compound Name8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione
PubChem CID158905232
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione
SMILESO=C(CO)CCCCCC(=O)c1csc(-c2nccs2)n1
InChIInChI=1S/C14H16N2O3S2/c17-8-10(18)4-2-1-3-5-12(19)11-9-21-14(16-11)13-15-6-7-20-13/h6-7,9,17H,1-5,8H2
InChIKeyJFYPLKNKDYIWET-UHFFFAOYSA-N
XLogP2.96
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione?
The IUPAC name of 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione (CID 158905232) is 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione.
What is the SMILES notation for 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione?
The canonical SMILES for 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione is O=C(CO)CCCCCC(=O)c1csc(-c2nccs2)n1.
What is the InChIKey of 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione?
The InChIKey is JFYPLKNKDYIWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-8-10(18)4-2-1-3-5-12(19)11-9-21-14(16-11)13-15-6-7-20-13/h6-7,9,17H,1-5,8H2.
What are the key properties of 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione?
8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione has a molecular weight of 324.43 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-[2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione is sourced from PubChem (CID 158905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).