6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C7H6N6O2S3 — CID 62163150

IUPAC6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C7H6N6O2S3/c8-4-5(13-1-2-16-7(13)10-4)18(14,15)12-6-11-9-3-17-6/h1-3H,8H2,(H,11,12)
InChIKeySOBIOIZDNUMGGZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.63
Rot. Bonds3

About 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62163150) has the molecular formula C7H6N6O2S3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62163150
Molecular FormulaC7H6N6O2S3
Molecular Weight302.37 g/mol
Exact Mass301.97
IUPAC Name6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C7H6N6O2S3/c8-4-5(13-1-2-16-7(13)10-4)18(14,15)12-6-11-9-3-17-6/h1-3H,8H2,(H,11,12)
InChIKeySOBIOIZDNUMGGZ-UHFFFAOYSA-N
XLogP0.63
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62163150) is 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is SOBIOIZDNUMGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O2S3/c8-4-5(13-1-2-16-7(13)10-4)18(14,15)12-6-11-9-3-17-6/h1-3H,8H2,(H,11,12).
What are the key properties of 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 302.37 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62163150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).