1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C₉H₁₇N₅OS — CID 66281221

About 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66281221) has the molecular formula C₉H₁₇N₅OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
• PubChem CID: 66281221
• Molecular Formula: C₉H₁₇N₅OS
• Molecular Weight: 243.34 g/mol
• Exact Mass: 243.12
• IUPAC Name: 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
• SMILES: CN(C)CC1CC(O)CN1c1nc(N)ns1
• InChI: InChI=1S/C9H17N5OS/c1-13(2)4-6-3-7(15)5-14(6)9-11-8(10)12-16-9/h6-7,15H,3-5H2,1-2H3,(H2,10,12)
• InChIKey: MUXKLARWMSCYIQ-UHFFFAOYSA-N
• XLogP: -0.38
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.34
LogP ≤ 5	-0.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?

The IUPAC name of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66281221) is 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

What is the SMILES notation for 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?

The canonical SMILES for 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1nc(N)ns1.

What is the InChIKey of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?

The InChIKey is MUXKLARWMSCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-13(2)4-6-3-7(15)5-14(6)9-11-8(10)12-16-9/h6-7,15H,3-5H2,1-2H3,(H2,10,12).

What are the key properties of 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?

1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 243.34 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-amino-1,2,4-thiadiazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66281221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66281221 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.