3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C12H15N5O3S — CID 121160186

IUPAC3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nnsc1C(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C12H15N5O3S/c1-7-10(21-15-14-7)11(19)16-4-2-8(3-5-16)17-9(18)6-13-12(17)20/h8H,2-6H2,1H3,(H,13,20)
InChIKeyIKGCDOPPAJPWBI-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.00
Rot. Bonds2

About 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160186) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160186
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nnsc1C(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C12H15N5O3S/c1-7-10(21-15-14-7)11(19)16-4-2-8(3-5-16)17-9(18)6-13-12(17)20/h8H,2-6H2,1H3,(H,13,20)
InChIKeyIKGCDOPPAJPWBI-UHFFFAOYSA-N
XLogP0.00
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160186) is 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is Cc1nnsc1C(=O)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is IKGCDOPPAJPWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-7-10(21-15-14-7)11(19)16-4-2-8(3-5-16)17-9(18)6-13-12(17)20/h8H,2-6H2,1H3,(H,13,20).
What are the key properties of 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 309.35 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).