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

C36H26F2N8O4S2 — CID 163437475

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

N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 163437475) has the molecular formula C36H26F2N8O4S2 and a molecular weight of 738.80 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;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

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;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
• PubChem CID: 163437475
• Molecular Formula: C36H26F2N8O4S2
• Molecular Weight: 738.80 g/mol
• Exact Mass: 738.16
• 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;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
• SMILES: Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1
• InChI: InChI=1S/C18H12F2N4O2S.C18H14N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;1-11-17(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,1H3,(H,22,23);2-9H,10H2,1H3,(H,20,21)/i;10D2
• InChIKey: AVSADCILJQVPDX-MXCKFYTFSA-N
• XLogP: 9.07
• TPSA: 121.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	738.80
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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

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;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 163437475) is N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

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

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;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.[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;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?

The InChIKey is AVSADCILJQVPDX-MXCKFYTFSA-N. The full InChI is InChI=1S/C18H12F2N4O2S.C18H14N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;1-11-17(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,1H3,(H,22,23);2-9H,10H2,1H3,(H,20,21)/i;10D2.

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

N-(2,2-dideuterio-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 738.80 g/mol, XLogP of 9.07, 6 rotatable bonds, 2 hydrogen bond donors, and 14 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;N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163437475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).