N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride

C18H15ClN4O2S — CID 162425818

About N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride

N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 162425818) has the molecular formula C18H15ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
• PubChem CID: 162425818
• Molecular Formula: C18H15ClN4O2S
• Molecular Weight: 388.88 g/mol
• Exact Mass: 388.07
• IUPAC Name: N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
• SMILES: Cl.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1
• InChI: InChI=1S/C18H14N4O2S.ClH/c1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14;/h2-9H,10H2,1H3,(H,20,21);1H/i10D2
• InChIKey: GYWDSCBDZSUDRG-ZKIONQSNSA-N
• XLogP: 4.66
• TPSA: 60.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.88
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?

The IUPAC name of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (CID 162425818) is N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.

What is the SMILES notation for N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?

The canonical SMILES for N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is Cl.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1.

What is the InChIKey of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?

The InChIKey is GYWDSCBDZSUDRG-ZKIONQSNSA-N. The full InChI is InChI=1S/C18H14N4O2S.ClH/c1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14;/h2-9H,10H2,1H3,(H,20,21);1H/i10D2;.

What are the key properties of N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?

N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 388.88 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 162425818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).