3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C11H15N5O3S — CID 9169489

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)s1
InChIInChI=1S/C11H15N5O3S/c1-6-14-15-9(20-6)12-7(17)4-5-16-8(18)11(2,3)13-10(16)19/h4-5H2,1-3H3,(H,13,19)(H,12,15,17)
InChIKeyJAYFVIZBRDFRSP-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.51
Rot. Bonds4

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 9169489) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID9169489
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)s1
InChIInChI=1S/C11H15N5O3S/c1-6-14-15-9(20-6)12-7(17)4-5-16-8(18)11(2,3)13-10(16)19/h4-5H2,1-3H3,(H,13,19)(H,12,15,17)
InChIKeyJAYFVIZBRDFRSP-UHFFFAOYSA-N
XLogP0.51
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 9169489) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)s1.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is JAYFVIZBRDFRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-6-14-15-9(20-6)12-7(17)4-5-16-8(18)11(2,3)13-10(16)19/h4-5H2,1-3H3,(H,13,19)(H,12,15,17).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 297.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 9169489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).