1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C₉H₁₂N₈S — CID 72877630

About 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72877630) has the molecular formula C₉H₁₂N₈S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
• PubChem CID: 72877630
• Molecular Formula: C₉H₁₂N₈S
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.09
• IUPAC Name: 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
• SMILES: Cc1nn(C)c2nc(NC(C)c3nn[nH]n3)sc12
• InChI: InChI=1S/C9H12N8S/c1-4-6-8(17(3)14-4)11-9(18-6)10-5(2)7-12-15-16-13-7/h5H,1-3H3,(H,10,11)(H,12,13,15,16)
• InChIKey: UVFJYYBRMJKAKB-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.32
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?

The IUPAC name of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72877630) is 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

What is the SMILES notation for 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?

The canonical SMILES for 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NC(C)c3nn[nH]n3)sc12.

What is the InChIKey of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?

The InChIKey is UVFJYYBRMJKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8S/c1-4-6-8(17(3)14-4)11-9(18-6)10-5(2)7-12-15-16-13-7/h5H,1-3H3,(H,10,11)(H,12,13,15,16).

What are the key properties of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?

1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 264.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72877630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 72877630 — identifiers, structure, computed properties (public domain)

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