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

C9H10N6O2S2 — CID 64524170

IUPAC6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H10N6O2S2/c10-7-8(15-3-4-18-9(15)14-7)19(16,17)13-5-6-11-1-2-12-6/h1-4,13H,5,10H2,(H,11,12)
InChIKeyRIDVWDOPCULPSB-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.18
Rot. Bonds4

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

6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 64524170) has the molecular formula C9H10N6O2S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID64524170
Molecular FormulaC9H10N6O2S2
Molecular Weight298.35 g/mol
Exact Mass298.03
IUPAC Name6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H10N6O2S2/c10-7-8(15-3-4-18-9(15)14-7)19(16,17)13-5-6-11-1-2-12-6/h1-4,13H,5,10H2,(H,11,12)
InChIKeyRIDVWDOPCULPSB-UHFFFAOYSA-N
XLogP0.18
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 64524170) is 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RIDVWDOPCULPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S2/c10-7-8(15-3-4-18-9(15)14-7)19(16,17)13-5-6-11-1-2-12-6/h1-4,13H,5,10H2,(H,11,12).
What are the key properties of 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 298.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 64524170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).