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

C8H10N8O2S2 — CID 62157906

IUPAC6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H10N8O2S2/c1-9-6-7(16-2-3-19-8(16)11-6)20(17,18)10-4-5-12-14-15-13-5/h2-3,9-10H,4H2,1H3,(H,12,13,14,15)
InChIKeyYTUNDPOFWHXMCA-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.57
Rot. Bonds5

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

6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62157906) has the molecular formula C8H10N8O2S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62157906
Molecular FormulaC8H10N8O2S2
Molecular Weight314.36 g/mol
Exact Mass314.04
IUPAC Name6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C8H10N8O2S2/c1-9-6-7(16-2-3-19-8(16)11-6)20(17,18)10-4-5-12-14-15-13-5/h2-3,9-10H,4H2,1H3,(H,12,13,14,15)
InChIKeyYTUNDPOFWHXMCA-UHFFFAOYSA-N
XLogP-0.57
TPSA129.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62157906) is 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCc1nn[nH]n1.
What is the InChIKey of 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is YTUNDPOFWHXMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O2S2/c1-9-6-7(16-2-3-19-8(16)11-6)20(17,18)10-4-5-12-14-15-13-5/h2-3,9-10H,4H2,1H3,(H,12,13,14,15).
What are the key properties of 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 314.36 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62157906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).