N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide

C₇H₁₁N₃O₃S — CID 66171531

About N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide (PubChem CID 66171531) has the molecular formula C₇H₁₁N₃O₃S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide
• PubChem CID: 66171531
• Molecular Formula: C₇H₁₁N₃O₃S
• Molecular Weight: 217.25 g/mol
• Exact Mass: 217.05
• IUPAC Name: N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide
• SMILES: CC(O)(CO)CNC(=O)c1cnns1
• InChI: InChI=1S/C7H11N3O3S/c1-7(13,4-11)3-8-6(12)5-2-9-10-14-5/h2,11,13H,3-4H2,1H3,(H,8,12)
• InChIKey: ORLDYMOEKGOESR-UHFFFAOYSA-N
• XLogP: -0.99
• TPSA: 95.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.25
LogP ≤ 5	-0.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?

The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide (CID 66171531) is N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide.

What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?

The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide is CC(O)(CO)CNC(=O)c1cnns1.

What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?

The InChIKey is ORLDYMOEKGOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-7(13,4-11)3-8-6(12)5-2-9-10-14-5/h2,11,13H,3-4H2,1H3,(H,8,12).

What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?

N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide has a molecular weight of 217.25 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 66171531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66171531 — identifiers, structure, computed properties (public domain)

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