N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C124H123FN26O3S6 — CID 158320998

About N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 158320998) has the molecular formula C124H123FN26O3S6 and a molecular weight of 2236.93 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
• PubChem CID: 158320998
• Molecular Formula: C124H123FN26O3S6
• Molecular Weight: 2236.93 g/mol
• Exact Mass: 2234.86
• IUPAC Name: N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
• SMILES: CC(C)C(=O)Nc1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1.CC(C)C(=O)Nc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(CCN(C)C)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(CCO)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)C(C)C.CN1CCN(c2nc(-c3c[nH]c4ncc(-c5ccccc5)cc34)cs2)CC1
• InChI: InChI=1S/C22H25N5S.C21H21N5S.C21H22N4S.C20H17FN4OS.C20H18N4OS.C20H20N4OS/c1-4-27(11-10-26(2)3)22-25-20(15-28-22)19-14-24-21-18(19)12-17(13-23-21)16-8-6-5-7-9-16;1-25-7-9-26(10-8-25)21-24-19(14-27-21)18-13-23-20-17(18)11-16(12-22-20)15-5-3-2-4-6-15;1-4-25(14(2)3)21-24-19(13-26-21)18-12-23-20-17(18)10-16(11-22-20)15-8-6-5-7-9-15;1-11(2)19(26)25-20-24-17(10-27-20)16-9-23-18-15(16)7-13(8-22-18)12-3-5-14(21)6-4-12;1-12(2)19(25)24-20-23-17(11-26-20)16-10-22-18-15(16)8-14(9-21-18)13-6-4-3-5-7-13;1-2-24(8-9-25)20-23-18(13-26-20)17-12-22-19-16(17)10-15(11-21-19)14-6-4-3-5-7-14/h5-9,12-15H,4,10-11H2,1-3H3,(H,23,24);2-6,11-14H,7-10H2,1H3,(H,22,23);5-14H,4H2,1-3H3,(H,22,23);3-11H,1-2H3,(H,22,23)(H,24,25,26);3-12H,1-2H3,(H,21,22)(H,23,24,25);3-7,10-13,25H,2,8-9H2,1H3,(H,21,22)
• InChIKey: GOVQKDLMDIMIGW-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 347.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2236.93
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?

The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 158320998) is N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?

The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is CC(C)C(=O)Nc1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1.CC(C)C(=O)Nc1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(CCN(C)C)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(CCO)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.CCN(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)C(C)C.CN1CCN(c2nc(-c3c[nH]c4ncc(-c5ccccc5)cc34)cs2)CC1.

What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?

The InChIKey is GOVQKDLMDIMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S.C21H21N5S.C21H22N4S.C20H17FN4OS.C20H18N4OS.C20H20N4OS/c1-4-27(11-10-26(2)3)22-25-20(15-28-22)19-14-24-21-18(19)12-17(13-23-21)16-8-6-5-7-9-16;1-25-7-9-26(10-8-25)21-24-19(14-27-21)18-13-23-20-17(18)11-16(12-22-20)15-5-3-2-4-6-15;1-4-25(14(2)3)21-24-19(13-26-21)18-12-23-20-17(18)10-16(11-22-20)15-8-6-5-7-9-15;1-11(2)19(26)25-20-24-17(10-27-20)16-9-23-18-15(16)7-13(8-22-18)12-3-5-14(21)6-4-12;1-12(2)19(25)24-20-23-17(11-26-20)16-10-22-18-15(16)8-14(9-21-18)13-6-4-3-5-7-13;1-2-24(8-9-25)20-23-18(13-26-20)17-12-22-19-16(17)10-15(11-21-19)14-6-4-3-5-7-14/h5-9,12-15H,4,10-11H2,1-3H3,(H,23,24);2-6,11-14H,7-10H2,1H3,(H,22,23);5-14H,4H2,1-3H3,(H,22,23);3-11H,1-2H3,(H,22,23)(H,24,25,26);3-12H,1-2H3,(H,21,22)(H,23,24,25);3-7,10-13,25H,2,8-9H2,1H3,(H,21,22).

What are the key properties of N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?

N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 2236.93 g/mol, XLogP of 28.64, 29 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N'-ethyl-N,N-dimethyl-N'-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethane-1,2-diamine;N-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine;2-[ethyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]ethanol;N-[4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide;2-methyl-N-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]propanamide;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 158320998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).