6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C9H10N6O2S2 — CID 62145548

IUPAC6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H10N6O2S2/c1-10-7-8(15-2-3-18-9(15)13-7)19(16,17)14-6-4-11-12-5-6/h2-5,10,14H,1H3,(H,11,12)
InChIKeyQZALUJLNONTLBI-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.96
Rot. Bonds4

About 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62145548) has the molecular formula C9H10N6O2S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62145548
Molecular FormulaC9H10N6O2S2
Molecular Weight298.35 g/mol
Exact Mass298.03
IUPAC Name6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H10N6O2S2/c1-10-7-8(15-2-3-18-9(15)13-7)19(16,17)14-6-4-11-12-5-6/h2-5,10,14H,1H3,(H,11,12)
InChIKeyQZALUJLNONTLBI-UHFFFAOYSA-N
XLogP0.96
TPSA104.18 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 ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62145548) is 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is QZALUJLNONTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S2/c1-10-7-8(15-2-3-18-9(15)13-7)19(16,17)14-6-4-11-12-5-6/h2-5,10,14H,1H3,(H,11,12).
What are the key properties of 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 298.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62145548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).