1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole

C18H26N12S6 — CID 160647573

About 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole

1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole (PubChem CID 160647573) has the molecular formula C18H26N12S6 and a molecular weight of 602.89 g/mol. Its IUPAC name is 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole
• PubChem CID: 160647573
• Molecular Formula: C18H26N12S6
• Molecular Weight: 602.89 g/mol
• Exact Mass: 602.07
• IUPAC Name: 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole
• SMILES: CS1=CN=NC1.Cc1cnsn1.Cc1csnn1.Cc1ncns1.Cc1ncsn1.Cc1nncs1
• InChI: InChI=1S/C3H6N2S.5C3H4N2S/c1-6-2-4-5-3-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3/h2H,3H2,1H3;5*2H,1H3
• InChIKey: RJZIPVNMXINUED-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 153.62 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	602.89
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?

The IUPAC name of 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole (CID 160647573) is 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole.

What is the SMILES notation for 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?

The canonical SMILES for 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole is CS1=CN=NC1.Cc1cnsn1.Cc1csnn1.Cc1ncns1.Cc1ncsn1.Cc1nncs1.

What is the InChIKey of 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?

The InChIKey is RJZIPVNMXINUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S.5C3H4N2S/c1-6-2-4-5-3-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3/h2H,3H2,1H3;5*2H,1H3.

What are the key properties of 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?

1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole has a molecular weight of 602.89 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1λ4-thia-3,4-diazacyclopenta-3,5-diene;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 160647573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).