N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine

C105H95FN26O8S3 — CID 159370319

About N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine

N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine (PubChem CID 159370319) has the molecular formula C105H95FN26O8S3 and a molecular weight of 1964.29 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine
• PubChem CID: 159370319
• Molecular Formula: C105H95FN26O8S3
• Molecular Weight: 1964.29 g/mol
• Exact Mass: 1962.70
• IUPAC Name: N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine
• SMILES: CCc1cc(Nc2nnco2)nc(-c2cccc3ccccc23)n1.CCc1ncsc1Nc1cc(-c2cccc(C)c2)nc(Oc2ccc3ncsc3c2)n1.CN(C)CCOc1ccc2c(Nc3nncs3)nc(Cc3ccc(C#N)cc3)nc2c1.COCc1ncoc1Nc1nc(CCc2cccc(F)c2)nc(C)c1C.COc1ccc2c(Nc3ocnc3C3CC3)nc(Oc3ccc(CC#N)cc3)nc2c1
• InChI: InChI=1S/C23H19N5O3.C23H19N5OS2.C22H21N7OS.C19H21FN4O2.C18H15N5O/c1-29-17-8-9-18-19(12-17)26-23(31-16-6-2-14(3-7-16)10-11-24)28-21(18)27-22-20(15-4-5-15)25-13-30-22;1-3-17-22(31-13-24-17)27-21-11-19(15-6-4-5-14(2)9-15)26-23(28-21)29-16-7-8-18-20(10-16)30-12-25-18;1-29(2)9-10-30-17-7-8-18-19(12-17)25-20(11-15-3-5-16(13-23)6-4-15)26-21(18)27-22-28-24-14-31-22;1-12-13(2)22-17(8-7-14-5-4-6-15(20)9-14)23-18(12)24-19-16(10-25-3)21-11-26-19;1-2-13-10-16(22-18-23-19-11-24-18)21-17(20-13)15-9-5-7-12-6-3-4-8-14(12)15/h2-3,6-9,12-13,15H,4-5,10H2,1H3,(H,26,27,28);4-13H,3H2,1-2H3,(H,26,27,28);3-8,12,14H,9-11H2,1-2H3,(H,25,26,27,28);4-6,9,11H,7-8,10H2,1-3H3,(H,22,23,24);3-11H,2H2,1H3,(H,20,21,22,23)
• InChIKey: LJQRLPVQYTZZBE-UHFFFAOYSA-N
• XLogP: 23.23
• TPSA: 428.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.29
LogP ≤ 5	23.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine?

The IUPAC name of N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine (CID 159370319) is N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine.

What is the SMILES notation for N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine?

The canonical SMILES for N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine is CCc1cc(Nc2nnco2)nc(-c2cccc3ccccc23)n1.CCc1ncsc1Nc1cc(-c2cccc(C)c2)nc(Oc2ccc3ncsc3c2)n1.CN(C)CCOc1ccc2c(Nc3nncs3)nc(Cc3ccc(C#N)cc3)nc2c1.COCc1ncoc1Nc1nc(CCc2cccc(F)c2)nc(C)c1C.COc1ccc2c(Nc3ocnc3C3CC3)nc(Oc3ccc(CC#N)cc3)nc2c1.

What is the InChIKey of N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine?

The InChIKey is LJQRLPVQYTZZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3.C23H19N5OS2.C22H21N7OS.C19H21FN4O2.C18H15N5O/c1-29-17-8-9-18-19(12-17)26-23(31-16-6-2-14(3-7-16)10-11-24)28-21(18)27-22-20(15-4-5-15)25-13-30-22;1-3-17-22(31-13-24-17)27-21-11-19(15-6-4-5-14(2)9-15)26-23(28-21)29-16-7-8-18-20(10-16)30-12-25-18;1-29(2)9-10-30-17-7-8-18-19(12-17)25-20(11-15-3-5-16(13-23)6-4-15)26-21(18)27-22-28-24-14-31-22;1-12-13(2)22-17(8-7-14-5-4-6-15(20)9-14)23-18(12)24-19-16(10-25-3)21-11-26-19;1-2-13-10-16(22-18-23-19-11-24-18)21-17(20-13)15-9-5-7-12-6-3-4-8-14(12)15/h2-3,6-9,12-13,15H,4-5,10H2,1H3,(H,26,27,28);4-13H,3H2,1-2H3,(H,26,27,28);3-8,12,14H,9-11H2,1-2H3,(H,25,26,27,28);4-6,9,11H,7-8,10H2,1-3H3,(H,22,23,24);3-11H,2H2,1H3,(H,20,21,22,23).

What are the key properties of N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine?

N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine has a molecular weight of 1964.29 g/mol, XLogP of 23.23, 32 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine;2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;N-(6-ethyl-2-naphthalen-1-ylpyrimidin-4-yl)-1,3,4-oxadiazol-2-amine;N-[2-[2-(3-fluorophenyl)ethyl]-5,6-dimethylpyrimidin-4-yl]-4-(methoxymethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 159370319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).