6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine

C94H84N22O12S15 — CID 157063524

About 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine

6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157063524) has the molecular formula C94H84N22O12S15 and a molecular weight of 2194.85 g/mol. Its IUPAC name is 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 157063524
• Molecular Formula: C94H84N22O12S15
• Molecular Weight: 2194.85 g/mol
• Exact Mass: 2192.24
• IUPAC Name: 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
• SMILES: C=CCS(=O)(=O)c1sc2nc(-c3nnco3)nc(-c3ccn[nH]3)c2c1C#N.C=S1CCCc2c1sc1nc(-c3ccc(C)s3)cc(OCCOC)c21.CCCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1.CCCS(=O)c1nc2c(OC(N)=O)nc(C)nc2s1.O=S(CC1CC1)c1cc2c(-c3ncccn3)nc(-c3nccs3)nc2s1.O=S(c1nc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1
• InChI: InChI=1S/C19H21NO2S3.C18H13N3O2S2.C17H13N5OS3.C15H9N7O3S2.C15H16N2OS3.C10H12N4O3S2/c1-12-6-7-16(23-12)14-11-15(22-9-8-21-2)17-13-5-4-10-25(3)19(13)24-18(17)20-14;22-25(12-6-7-12)18-21-15-13(11-4-2-1-3-5-11)10-14(20-17(15)24-18)16-19-8-9-23-16;23-26(9-10-2-3-10)12-8-11-13(14-18-4-1-5-19-14)21-15(22-16(11)25-12)17-20-6-7-24-17;1-2-5-27(23,24)15-8(6-16)10-11(9-3-4-17-21-9)19-12(20-14(10)26-15)13-22-18-7-25-13;1-2-3-4-10-21(18)15-17-12-8-7-11(16-14(12)20-15)13-6-5-9-19-13;1-3-4-19(16)10-14-6-7(17-9(11)15)12-5(2)13-8(6)18-10/h6-7,11H,3-5,8-10H2,1-2H3;1-5,8-10,12H,6-7H2;1,4-8,10H,2-3,9H2;2-4,7H,1,5H2,(H,17,21);5-9H,2-4,10H2,1H3;3-4H2,1-2H3,(H2,11,15)
• InChIKey: ABPIBRVBRMGOKJ-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 483.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.85
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 157063524) is 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine is C=CCS(=O)(=O)c1sc2nc(-c3nnco3)nc(-c3ccn[nH]3)c2c1C#N.C=S1CCCc2c1sc1nc(-c3ccc(C)s3)cc(OCCOC)c21.CCCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1.CCCS(=O)c1nc2c(OC(N)=O)nc(C)nc2s1.O=S(CC1CC1)c1cc2c(-c3ncccn3)nc(-c3nccs3)nc2s1.O=S(c1nc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1.

What is the InChIKey of 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is ABPIBRVBRMGOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S3.C18H13N3O2S2.C17H13N5OS3.C15H9N7O3S2.C15H16N2OS3.C10H12N4O3S2/c1-12-6-7-16(23-12)14-11-15(22-9-8-21-2)17-13-5-4-10-25(3)19(13)24-18(17)20-14;22-25(12-6-7-12)18-21-15-13(11-4-2-1-3-5-11)10-14(20-17(15)24-18)16-19-8-9-23-16;23-26(9-10-2-3-10)12-8-11-13(14-18-4-1-5-19-14)21-15(22-16(11)25-12)17-20-6-7-24-17;1-2-5-27(23,24)15-8(6-16)10-11(9-3-4-17-21-9)19-12(20-14(10)26-15)13-22-18-7-25-13;1-2-3-4-10-21(18)15-17-12-8-7-11(16-14(12)20-15)13-6-5-9-19-13;1-3-4-19(16)10-14-6-7(17-9(11)15)12-5(2)13-8(6)18-10/h6-7,11H,3-5,8-10H2,1-2H3;1-5,8-10,12H,6-7H2;1,4-8,10H,2-3,9H2;2-4,7H,1,5H2,(H,17,21);5-9H,2-4,10H2,1H3;3-4H2,1-2H3,(H2,11,15).

What are the key properties of 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2194.85 g/mol, XLogP of 21.49, 29 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 157063524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).