3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione

C12H13N3O3S — CID 119100037

IUPAC3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)s1
InChIInChI=1S/C12H13N3O3S/c1-7-2-3-9(19-7)11(17)14-5-8(6-14)15-10(16)4-13-12(15)18/h2-3,8H,4-6H2,1H3,(H,13,18)
InChIKeyKHYIECSRMLZVHK-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.43
Rot. Bonds2

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

3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 119100037) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID119100037
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)s1
InChIInChI=1S/C12H13N3O3S/c1-7-2-3-9(19-7)11(17)14-5-8(6-14)15-10(16)4-13-12(15)18/h2-3,8H,4-6H2,1H3,(H,13,18)
InChIKeyKHYIECSRMLZVHK-UHFFFAOYSA-N
XLogP0.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 119100037) is 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is Cc1ccc(C(=O)N2CC(N3C(=O)CNC3=O)C2)s1.
What is the InChIKey of 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is KHYIECSRMLZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-2-3-9(19-7)11(17)14-5-8(6-14)15-10(16)4-13-12(15)18/h2-3,8H,4-6H2,1H3,(H,13,18).
What are the key properties of 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 279.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 119100037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).