N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C113H101N21O2S6 — CID 158749179

About N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 158749179) has the molecular formula C113H101N21O2S6 and a molecular weight of 1977.60 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
• PubChem CID: 158749179
• Molecular Formula: C113H101N21O2S6
• Molecular Weight: 1977.60 g/mol
• Exact Mass: 1975.68
• IUPAC Name: N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
• SMILES: CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCOC(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1.Cc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1.Cc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.Cc1sc(N)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12
• InChI: InChI=1S/C21H22N4S.C20H20N4S.C20H17N3O2S.C18H15N3S.C17H14N4S.C17H13N3S/c1-4-25(5-2)21-24-19(14(3)26-21)18-13-23-20-17(18)11-16(12-22-20)15-9-7-6-8-10-15;1-3-24(4-2)20-23-18(13-25-20)17-12-22-19-16(17)10-15(11-21-19)14-8-6-5-7-9-14;1-3-25-20(24)19-23-17(12(2)26-19)16-11-22-18-15(16)9-14(10-21-18)13-7-5-4-6-8-13;1-11-17(21-12(2)22-11)16-10-20-18-15(16)8-14(9-19-18)13-6-4-3-5-7-13;1-10-15(21-17(18)22-10)14-9-20-16-13(14)7-12(8-19-16)11-5-3-2-4-6-11;1-11-20-16(10-21-11)15-9-19-17-14(15)7-13(8-18-17)12-5-3-2-4-6-12/h6-13H,4-5H2,1-3H3,(H,22,23);5-13H,3-4H2,1-2H3,(H,21,22);4-11H,3H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,19,20);2-9H,1H3,(H2,18,21)(H,19,20);2-10H,1H3,(H,18,19)
• InChIKey: INGGXEHHDQIEOG-UHFFFAOYSA-N
• XLogP: 29.42
• TPSA: 308.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.60
LogP ≤ 5	29.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 158749179) is N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

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

The canonical SMILES for N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCOC(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1.Cc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c(C)s1.Cc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.Cc1sc(N)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.

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

The InChIKey is INGGXEHHDQIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S.C20H20N4S.C20H17N3O2S.C18H15N3S.C17H14N4S.C17H13N3S/c1-4-25(5-2)21-24-19(14(3)26-21)18-13-23-20-17(18)11-16(12-22-20)15-9-7-6-8-10-15;1-3-24(4-2)20-23-18(13-25-20)17-12-22-19-16(17)10-15(11-21-19)14-8-6-5-7-9-14;1-3-25-20(24)19-23-17(12(2)26-19)16-11-22-18-15(16)9-14(10-21-18)13-7-5-4-6-8-13;1-11-17(21-12(2)22-11)16-10-20-18-15(16)8-14(9-19-18)13-6-4-3-5-7-13;1-10-15(21-17(18)22-10)14-9-20-16-13(14)7-12(8-19-16)11-5-3-2-4-6-11;1-11-20-16(10-21-11)15-9-19-17-14(15)7-13(8-18-17)12-5-3-2-4-6-12/h6-13H,4-5H2,1-3H3,(H,22,23);5-13H,3-4H2,1-2H3,(H,21,22);4-11H,3H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,19,20);2-9H,1H3,(H2,18,21)(H,19,20);2-10H,1H3,(H,18,19).

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

N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 1977.60 g/mol, XLogP of 29.42, 20 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;ethyl 5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;2-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 158749179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).