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

C72H56F4N16O4S4 — CID 163662589

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-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 163662589) has the molecular formula C72H56F4N16O4S4 and a molecular weight of 1415.62 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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
• PubChem CID: 163662589
• Molecular Formula: C72H56F4N16O4S4
• Molecular Weight: 1415.62 g/mol
• Exact Mass: 1414.36
• 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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
• SMILES: Cc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1.Cc1nc2ccccn2c1-c1csc(Nc2cc(F)c(C)c(F)c2)n1.Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.[2H]C1([2H])Oc2ccc(Nc3nc(-c4c(C)nc5ccccn45)cs3)cc2O1
• InChI: InChI=1S/C18H12F2N4O2S.C18H14F2N4S.C18H14N4O2S.C18H16N4S/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;1-10-13(19)7-12(8-14(10)20)22-18-23-15(9-25-18)17-11(2)21-16-5-3-4-6-24(16)17;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;1-12-6-8-14(9-7-12)20-18-21-15(11-23-18)17-13(2)19-16-5-3-4-10-22(16)17/h2-9H,1H3,(H,22,23);3-9H,1-2H3,(H,22,23);2-9H,10H2,1H3,(H,20,21);3-11H,1-2H3,(H,20,21)/i;;10D2
• InChIKey: IVQUGEQFNXQATE-XUBGQBEJSA-N
• XLogP: 18.98
• TPSA: 205.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1415.62
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 163662589) 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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1.Cc1nc2ccccn2c1-c1csc(Nc2cc(F)c(C)c(F)c2)n1.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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?

The InChIKey is IVQUGEQFNXQATE-XUBGQBEJSA-N. The full InChI is InChI=1S/C18H12F2N4O2S.C18H14F2N4S.C18H14N4O2S.C18H16N4S/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;1-10-13(19)7-12(8-14(10)20)22-18-23-15(9-25-18)17-11(2)21-16-5-3-4-6-24(16)17;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;1-12-6-8-14(9-7-12)20-18-21-15(11-23-18)17-13(2)19-16-5-3-4-10-22(16)17/h2-9H,1H3,(H,22,23);3-9H,1-2H3,(H,22,23);2-9H,10H2,1H3,(H,20,21);3-11H,1-2H3,(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-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 1415.62 g/mol, XLogP of 18.98, 12 rotatable bonds, 4 hydrogen bond donors, and 24 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;N-(3,5-difluoro-4-methylphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163662589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).