1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione

C13H14N2O3S — CID 62965796

IUPAC1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ncc(C#CCCO)s2)C(=O)C1
InChIInChI=1S/C13H14N2O3S/c1-9-6-11(17)15(12(18)7-9)13-14-8-10(19-13)4-2-3-5-16/h8-9,16H,3,5-7H2,1H3
InChIKeyUFNWXXBFFINOTC-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.17
Rot. Bonds2

About 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione

1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione (PubChem CID 62965796) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione
PubChem CID62965796
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ncc(C#CCCO)s2)C(=O)C1
InChIInChI=1S/C13H14N2O3S/c1-9-6-11(17)15(12(18)7-9)13-14-8-10(19-13)4-2-3-5-16/h8-9,16H,3,5-7H2,1H3
InChIKeyUFNWXXBFFINOTC-UHFFFAOYSA-N
XLogP1.17
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione (CID 62965796) is 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(c2ncc(C#CCCO)s2)C(=O)C1.
What is the InChIKey of 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione?
The InChIKey is UFNWXXBFFINOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-6-11(17)15(12(18)7-9)13-14-8-10(19-13)4-2-3-5-16/h8-9,16H,3,5-7H2,1H3.
What are the key properties of 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione?
1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione has a molecular weight of 278.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 62965796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).