1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide

C12H15N5O3S2 — CID 72869883

About 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 72869883) has the molecular formula C12H15N5O3S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
• PubChem CID: 72869883
• Molecular Formula: C12H15N5O3S2
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.06
• IUPAC Name: 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
• SMILES: Cc1nnc(SCCNC(=O)c2cc(=O)n(C)c(=O)n2C)s1
• InChI: InChI=1S/C12H15N5O3S2/c1-7-14-15-11(22-7)21-5-4-13-10(19)8-6-9(18)17(3)12(20)16(8)2/h6H,4-5H2,1-3H3,(H,13,19)
• InChIKey: ZUEDZMGJVSLXEA-UHFFFAOYSA-N
• XLogP: -0.23
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide?

The IUPAC name of 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide (CID 72869883) is 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide.

What is the SMILES notation for 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide?

The canonical SMILES for 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide is Cc1nnc(SCCNC(=O)c2cc(=O)n(C)c(=O)n2C)s1.

What is the InChIKey of 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide?

The InChIKey is ZUEDZMGJVSLXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S2/c1-7-14-15-11(22-7)21-5-4-13-10(19)8-6-9(18)17(3)12(20)16(8)2/h6H,4-5H2,1-3H3,(H,13,19).

What are the key properties of 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide?

1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 72869883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).