2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide

C97H84N34O6S5 — CID 157318090

About 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide

2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide (PubChem CID 157318090) has the molecular formula C97H84N34O6S5 and a molecular weight of 1982.31 g/mol. Its IUPAC name is 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide
• PubChem CID: 157318090
• Molecular Formula: C97H84N34O6S5
• Molecular Weight: 1982.31 g/mol
• Exact Mass: 1980.59
• IUPAC Name: 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Sc2nc(Nc3nncs3)c3ccccc3n2)cc1.CN(C)CCOc1ccc2c(Nc3nncs3)nc(Nc3ccc(C#N)cc3)nc2c1.CN(c1ccc2[nH]ncc2c1)c1nc(Nc2nnco2)c2ccncc2n1.COc1ccc2c(Nc3ocnc3C3CC3)nc(Sc3ccc(CC#N)cc3)nc2c1.Cc1ncsc1Nc1nc(N(CCO)c2ccccc2)nc2cc[nH]c12
• InChI: InChI=1S/C23H19N5O2S.C21H20N8OS.C18H14N6OS2.C18H18N6OS.C17H13N9O/c1-29-16-6-9-18-19(12-16)26-23(31-17-7-2-14(3-8-17)10-11-24)28-21(18)27-22-20(15-4-5-15)25-13-30-22;1-29(2)9-10-30-16-7-8-17-18(11-16)25-20(24-15-5-3-14(12-22)4-6-15)26-19(17)27-21-28-23-13-31-21;1-11(25)20-12-6-8-13(9-7-12)27-17-21-15-5-3-2-4-14(15)16(22-17)23-18-24-19-10-26-18;1-12-17(26-11-20-12)22-16-15-14(7-8-19-15)21-18(23-16)24(9-10-25)13-5-3-2-4-6-13;1-26(11-2-3-13-10(6-11)7-19-24-13)16-21-14-8-18-5-4-12(14)15(22-16)23-17-25-20-9-27-17/h2-3,6-9,12-13,15H,4-5,10H2,1H3,(H,26,27,28);3-8,11,13H,9-10H2,1-2H3,(H2,24,25,26,27,28);2-10H,1H3,(H,20,25)(H,21,22,23,24);2-8,11,19,25H,9-10H2,1H3,(H,21,22,23);2-9H,1H3,(H,19,24)(H,21,22,23,25)
• InChIKey: BDVOPOYATAIIBR-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 512.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1982.31
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide?

The IUPAC name of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide (CID 157318090) is 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide.

What is the SMILES notation for 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide?

The canonical SMILES for 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2nc(Nc3nncs3)c3ccccc3n2)cc1.CN(C)CCOc1ccc2c(Nc3nncs3)nc(Nc3ccc(C#N)cc3)nc2c1.CN(c1ccc2[nH]ncc2c1)c1nc(Nc2nnco2)c2ccncc2n1.COc1ccc2c(Nc3ocnc3C3CC3)nc(Sc3ccc(CC#N)cc3)nc2c1.Cc1ncsc1Nc1nc(N(CCO)c2ccccc2)nc2cc[nH]c12.

What is the InChIKey of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide?

The InChIKey is BDVOPOYATAIIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S.C21H20N8OS.C18H14N6OS2.C18H18N6OS.C17H13N9O/c1-29-16-6-9-18-19(12-16)26-23(31-17-7-2-14(3-8-17)10-11-24)28-21(18)27-22-20(15-4-5-15)25-13-30-22;1-29(2)9-10-30-16-7-8-17-18(11-16)25-20(24-15-5-3-14(12-22)4-6-15)26-19(17)27-21-28-23-13-31-21;1-11(25)20-12-6-8-13(9-7-12)27-17-21-15-5-3-2-4-14(15)16(22-17)23-18-24-19-10-26-18;1-12-17(26-11-20-12)22-16-15-14(7-8-19-15)21-18(23-16)24(9-10-25)13-5-3-2-4-6-13;1-26(11-2-3-13-10(6-11)7-19-24-13)16-21-14-8-18-5-4-12(14)15(22-16)23-17-25-20-9-27-17/h2-3,6-9,12-13,15H,4-5,10H2,1H3,(H,26,27,28);3-8,11,13H,9-10H2,1-2H3,(H2,24,25,26,27,28);2-10H,1H3,(H,20,25)(H,21,22,23,24);2-8,11,19,25H,9-10H2,1H3,(H,21,22,23);2-9H,1H3,(H,19,24)(H,21,22,23,25).

What are the key properties of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide?

2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide has a molecular weight of 1982.31 g/mol, XLogP of 19.97, 30 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]sulfanylphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]amino]benzonitrile;2-N-(1H-indazol-5-yl)-2-N-methyl-4-N-(1,3,4-oxadiazol-2-yl)pyrido[3,4-d]pyrimidine-2,4-diamine;2-(N-[4-[(4-methyl-1,3-thiazol-5-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]anilino)ethanol;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 157318090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).