4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

C107H95FN34O6S3 — CID 158194772

About 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (PubChem CID 158194772) has the molecular formula C107H95FN34O6S3 and a molecular weight of 2068.37 g/mol. Its IUPAC name is 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.

Molecular Properties

• Compound Name: 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
• PubChem CID: 158194772
• Molecular Formula: C107H95FN34O6S3
• Molecular Weight: 2068.37 g/mol
• Exact Mass: 2066.73
• IUPAC Name: 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Oc2nc(Nc3cscn3)c3ccccc3n2)cc1.CCc1ocnc1Nc1cc(CN(C)C)nc(-c2ccccc2)n1.Cc1cc(Nc2cscn2)nc(Cc2ccc(F)cc2)n1.Cc1scnc1Nc1nc(Cc2ccc(C#N)cc2)nc2cc(OCCN(C)C)ccc12.c1cc2c(Nc3cocn3)nc(Nc3ccc4[nH]ncc4c3)nc2cn1.c1ccc(-c2nc(Nc3ncon3)c3[nH]ccc3n2)cc1
• InChI: InChI=1S/C24H24N6OS.C19H15N5O2S.C18H21N5O.C17H12N8O.C15H13FN4S.C14H10N6O/c1-16-23(26-15-32-16)29-24-20-9-8-19(31-11-10-30(2)3)13-21(20)27-22(28-24)12-17-4-6-18(14-25)7-5-17;1-12(25)21-13-6-8-14(9-7-13)26-19-22-16-5-3-2-4-15(16)18(24-19)23-17-10-27-11-20-17;1-4-15-18(19-12-24-15)22-16-10-14(11-23(2)3)20-17(21-16)13-8-6-5-7-9-13;1-2-13-10(6-20-25-13)5-11(1)21-17-22-14-7-18-4-3-12(14)16(24-17)23-15-8-26-9-19-15;1-10-6-13(20-15-8-21-9-17-15)19-14(18-10)7-11-2-4-12(16)5-3-11;1-2-4-9(5-3-1)12-17-10-6-7-15-11(10)13(18-12)19-14-16-8-21-20-14/h4-9,13,15H,10-12H2,1-3H3,(H,27,28,29);2-11H,1H3,(H,21,25)(H,22,23,24);5-10,12H,4,11H2,1-3H3,(H,20,21,22);1-9H,(H,20,25)(H2,21,22,23,24);2-6,8-9H,7H2,1H3,(H,18,19,20);1-8,15H,(H,17,18,19,20)
• InChIKey: GAFCIHXFBGJKMH-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 503.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2068.37
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The IUPAC name of 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (CID 158194772) is 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.

What is the SMILES notation for 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The canonical SMILES for 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2nc(Nc3cscn3)c3ccccc3n2)cc1.CCc1ocnc1Nc1cc(CN(C)C)nc(-c2ccccc2)n1.Cc1cc(Nc2cscn2)nc(Cc2ccc(F)cc2)n1.Cc1scnc1Nc1nc(Cc2ccc(C#N)cc2)nc2cc(OCCN(C)C)ccc12.c1cc2c(Nc3cocn3)nc(Nc3ccc4[nH]ncc4c3)nc2cn1.c1ccc(-c2nc(Nc3ncon3)c3[nH]ccc3n2)cc1.

What is the InChIKey of 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The InChIKey is GAFCIHXFBGJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS.C19H15N5O2S.C18H21N5O.C17H12N8O.C15H13FN4S.C14H10N6O/c1-16-23(26-15-32-16)29-24-20-9-8-19(31-11-10-30(2)3)13-21(20)27-22(28-24)12-17-4-6-18(14-25)7-5-17;1-12(25)21-13-6-8-14(9-7-13)26-19-22-16-5-3-2-4-15(16)18(24-19)23-17-10-27-11-20-17;1-4-15-18(19-12-24-15)22-16-10-14(11-23(2)3)20-17(21-16)13-8-6-5-7-9-13;1-2-13-10(6-20-25-13)5-11(1)21-17-22-14-7-18-4-3-12(14)16(24-17)23-15-8-26-9-19-15;1-10-6-13(20-15-8-21-9-17-15)19-14(18-10)7-11-2-4-12(16)5-3-11;1-2-4-9(5-3-1)12-17-10-6-7-15-11(10)13(18-12)19-14-16-8-21-20-14/h4-9,13,15H,10-12H2,1-3H3,(H,27,28,29);2-11H,1H3,(H,21,25)(H,22,23,24);5-10,12H,4,11H2,1-3H3,(H,20,21,22);1-9H,(H,20,25)(H2,21,22,23,24);2-6,8-9H,7H2,1H3,(H,18,19,20);1-8,15H,(H,17,18,19,20).

What are the key properties of 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide has a molecular weight of 2068.37 g/mol, XLogP of 22.46, 30 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-[2-(dimethylamino)ethoxy]-4-[(5-methyl-1,3-thiazol-4-yl)amino]quinazolin-2-yl]methyl]benzonitrile;N-[6-[(dimethylamino)methyl]-2-phenylpyrimidin-4-yl]-5-ethyl-1,3-oxazol-4-amine;N-[2-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-1,3-thiazol-4-amine;2-N-(1H-indazol-5-yl)-4-N-(1,3-oxazol-4-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,2,4-oxadiazol-3-amine;N-[4-[4-(1,3-thiazol-4-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 158194772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).