N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one

C105H126N16O6S10 — CID 158312852

About N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one

N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one (PubChem CID 158312852) has the molecular formula C105H126N16O6S10 and a molecular weight of 2028.94 g/mol. Its IUPAC name is N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one.

Molecular Properties

• Compound Name: N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
• PubChem CID: 158312852
• Molecular Formula: C105H126N16O6S10
• Molecular Weight: 2028.94 g/mol
• Exact Mass: 2026.73
• IUPAC Name: N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
• SMILES: CC(=O)Nc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCCC2.CCN1CCc2c(sc(NC(C)=O)c2-c2nc3cnccc3s2)[C@H]1C.CC[C@H](C)CCCC(=O)Cc1sc2c(c1-c1nc3c(C)nccc3s1)CCNC2.COCCCCCC(=O)Cc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCNC2.Cc1cc2sc(-c3c(CC(=O)CCCC(C)C)sc4c3CCNC4)nc2c(C)n1
• InChI: InChI=1S/C23H29N3O2S2.2C23H29N3OS2.C18H20N4OS2.C18H19N3OS2/c1-14-11-19-22(15(2)25-14)26-23(30-19)21-17-8-9-24-13-20(17)29-18(21)12-16(27)7-5-4-6-10-28-3;1-13(2)6-5-7-16(27)11-18-21(17-8-9-24-12-20(17)28-18)23-26-22-15(4)25-14(3)10-19(22)29-23;1-4-14(2)6-5-7-16(27)12-19-21(17-8-10-24-13-20(17)28-19)23-26-22-15(3)25-11-9-18(22)29-23;1-4-22-8-6-12-15(17(20-11(3)23)25-16(12)10(22)2)18-21-13-9-19-7-5-14(13)24-18;1-9-8-14-16(10(2)19-9)21-18(24-14)15-12-6-4-5-7-13(12)23-17(15)20-11(3)22/h11,24H,4-10,12-13H2,1-3H3;10,13,24H,5-9,11-12H2,1-4H3;9,11,14,24H,4-8,10,12-13H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3,(H,20,23);8H,4-7H2,1-3H3,(H,20,22)/t;;14-;10-;/m..01./s1
• InChIKey: GNWVBTLYHLDDOB-IGDCVNCTSA-N
• XLogP: 25.51
• TPSA: 286.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.94
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

The IUPAC name of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one (CID 158312852) is N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one.

What is the SMILES notation for N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

The canonical SMILES for N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one is CC(=O)Nc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCCC2.CCN1CCc2c(sc(NC(C)=O)c2-c2nc3cnccc3s2)[C@H]1C.CC[C@H](C)CCCC(=O)Cc1sc2c(c1-c1nc3c(C)nccc3s1)CCNC2.COCCCCCC(=O)Cc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCNC2.Cc1cc2sc(-c3c(CC(=O)CCCC(C)C)sc4c3CCNC4)nc2c(C)n1.

What is the InChIKey of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

The InChIKey is GNWVBTLYHLDDOB-IGDCVNCTSA-N. The full InChI is InChI=1S/C23H29N3O2S2.2C23H29N3OS2.C18H20N4OS2.C18H19N3OS2/c1-14-11-19-22(15(2)25-14)26-23(30-19)21-17-8-9-24-13-20(17)29-18(21)12-16(27)7-5-4-6-10-28-3;1-13(2)6-5-7-16(27)11-18-21(17-8-9-24-12-20(17)28-18)23-26-22-15(4)25-14(3)10-19(22)29-23;1-4-14(2)6-5-7-16(27)12-19-21(17-8-10-24-13-20(17)28-19)23-26-22-15(3)25-11-9-18(22)29-23;1-4-22-8-6-12-15(17(20-11(3)23)25-16(12)10(22)2)18-21-13-9-19-7-5-14(13)24-18;1-9-8-14-16(10(2)19-9)21-18(24-14)15-12-6-4-5-7-13(12)23-17(15)20-11(3)22/h11,24H,4-10,12-13H2,1-3H3;10,13,24H,5-9,11-12H2,1-4H3;9,11,14,24H,4-8,10,12-13H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3,(H,20,23);8H,4-7H2,1-3H3,(H,20,22)/t;;14-;10-;/m..01./s1.

What are the key properties of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one has a molecular weight of 2028.94 g/mol, XLogP of 25.51, 29 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-7-methoxyheptan-2-one;1-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-6-methylheptan-2-one;N-[(7R)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[3-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one is sourced from PubChem (CID 158312852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).