6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C7H8N8O2S2 — CID 55043080

IUPAC6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H8N8O2S2/c8-5-6(15-1-2-18-7(15)10-5)19(16,17)9-3-4-11-13-14-12-4/h1-2,9H,3,8H2,(H,11,12,13,14)
InChIKeyACOCNMPSZDISCG-UHFFFAOYSA-N
MW300.33 g/mol
LogP-1.03
Rot. Bonds4

About 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 55043080) has the molecular formula C7H8N8O2S2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID55043080
Molecular FormulaC7H8N8O2S2
Molecular Weight300.33 g/mol
Exact Mass300.02
IUPAC Name6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H8N8O2S2/c8-5-6(15-1-2-18-7(15)10-5)19(16,17)9-3-4-11-13-14-12-4/h1-2,9H,3,8H2,(H,11,12,13,14)
InChIKeyACOCNMPSZDISCG-UHFFFAOYSA-N
XLogP-1.03
TPSA143.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 55043080) is 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCc1nn[nH]n1.
What is the InChIKey of 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is ACOCNMPSZDISCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N8O2S2/c8-5-6(15-1-2-18-7(15)10-5)19(16,17)9-3-4-11-13-14-12-4/h1-2,9H,3,8H2,(H,11,12,13,14).
What are the key properties of 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 300.33 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 55043080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).