3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C12H16N4O3S — CID 167754621

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(C)C(=O)CCC2NC(=O)NC2=O)s1
InChIInChI=1S/C12H16N4O3S/c1-7-13-5-8(20-7)6-16(2)10(17)4-3-9-11(18)15-12(19)14-9/h5,9H,3-4,6H2,1-2H3,(H2,14,15,18,19)
InChIKeyPISPCJVDPCIVJW-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.40
Rot. Bonds5

About 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 167754621) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID167754621
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(C)C(=O)CCC2NC(=O)NC2=O)s1
InChIInChI=1S/C12H16N4O3S/c1-7-13-5-8(20-7)6-16(2)10(17)4-3-9-11(18)15-12(19)14-9/h5,9H,3-4,6H2,1-2H3,(H2,14,15,18,19)
InChIKeyPISPCJVDPCIVJW-UHFFFAOYSA-N
XLogP0.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 167754621) is 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CN(C)C(=O)CCC2NC(=O)NC2=O)s1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is PISPCJVDPCIVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-13-5-8(20-7)6-16(2)10(17)4-3-9-11(18)15-12(19)14-9/h5,9H,3-4,6H2,1-2H3,(H2,14,15,18,19).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 296.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 167754621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).