4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine

C107H109Cl4N21S5 — CID 160538616

About 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine

4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 160538616) has the molecular formula C107H109Cl4N21S5 and a molecular weight of 1991.34 g/mol. Its IUPAC name is 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine
• PubChem CID: 160538616
• Molecular Formula: C107H109Cl4N21S5
• Molecular Weight: 1991.34 g/mol
• Exact Mass: 1987.65
• IUPAC Name: 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine
• SMILES: CCN(CC)Cc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cc(Cl)cc(Cl)c4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cc(Cl)cc(Cl)c4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(Cc4ccccc4)cc23)cs1.Cc1sc(N(C)CC2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12
• InChI: InChI=1S/C24H27N5S.C21H20Cl2N4S.2C21H22N4S.C20H18Cl2N4S/c1-16-22(28-24(30-16)29(2)15-17-8-10-25-11-9-17)21-14-27-23-20(21)12-19(13-26-23)18-6-4-3-5-7-18;1-4-27(5-2)21-26-19(12(3)28-21)18-11-25-20-17(18)8-14(10-24-20)13-6-15(22)9-16(23)7-13;1-3-25(4-2)13-20-24-19(14-26-20)18-12-23-21-17(18)10-16(11-22-21)15-8-6-5-7-9-15;1-3-25(4-2)21-24-19(14-26-21)18-13-23-20-17(18)11-16(12-22-20)10-15-8-6-5-7-9-15;1-3-26(4-2)20-25-18(11-27-20)17-10-24-19-16(17)7-13(9-23-19)12-5-14(21)8-15(22)6-12/h3-7,12-14,17,25H,8-11,15H2,1-2H3,(H,26,27);6-11H,4-5H2,1-3H3,(H,24,25);5-12,14H,3-4,13H2,1-2H3,(H,22,23);5-9,11-14H,3-4,10H2,1-2H3,(H,22,23);5-11H,3-4H2,1-2H3,(H,23,24)
• InChIKey: QWMCQOAKWKNOPG-UHFFFAOYSA-N
• XLogP: 28.74
• TPSA: 236.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1991.34
LogP ≤ 5	28.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine?

The IUPAC name of 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 160538616) is 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine.

What is the SMILES notation for 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine?

The canonical SMILES for 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine is CCN(CC)Cc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cc(Cl)cc(Cl)c4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cc(Cl)cc(Cl)c4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(Cc4ccccc4)cc23)cs1.Cc1sc(N(C)CC2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.

What is the InChIKey of 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine?

The InChIKey is QWMCQOAKWKNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5S.C21H20Cl2N4S.2C21H22N4S.C20H18Cl2N4S/c1-16-22(28-24(30-16)29(2)15-17-8-10-25-11-9-17)21-14-27-23-20(21)12-19(13-26-23)18-6-4-3-5-7-18;1-4-27(5-2)21-26-19(12(3)28-21)18-11-25-20-17(18)8-14(10-24-20)13-6-15(22)9-16(23)7-13;1-3-25(4-2)13-20-24-19(14-26-20)18-12-23-21-17(18)10-16(11-22-21)15-8-6-5-7-9-15;1-3-25(4-2)21-24-19(14-26-21)18-13-23-20-17(18)11-16(12-22-20)10-15-8-6-5-7-9-15;1-3-26(4-2)20-25-18(11-27-20)17-10-24-19-16(17)7-13(9-23-19)12-5-14(21)8-15(22)6-12/h3-7,12-14,17,25H,8-11,15H2,1-2H3,(H,26,27);6-11H,4-5H2,1-3H3,(H,24,25);5-12,14H,3-4,13H2,1-2H3,(H,22,23);5-9,11-14H,3-4,10H2,1-2H3,(H,22,23);5-11H,3-4H2,1-2H3,(H,23,24).

What are the key properties of 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine?

4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 1991.34 g/mol, XLogP of 28.74, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-diethyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-5-methyl-1,3-thiazol-2-amine;4-[5-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-diethyl-1,3-thiazol-2-amine;N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine;N-ethyl-N-[[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 160538616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).