N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one

C94H114F4N10O4S8 — CID 160555414

About N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one (PubChem CID 160555414) has the molecular formula C94H114F4N10O4S8 and a molecular weight of 1780.54 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
• PubChem CID: 160555414
• Molecular Formula: C94H114F4N10O4S8
• Molecular Weight: 1780.54 g/mol
• Exact Mass: 1778.67
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
• SMILES: CC(C)N1CCc2c(sc(NC(=O)CCNC(C)(C)C)c2-c2nc3ccccc3s2)C1.CCC(C)CCCC(=O)Cc1sc2c(c1-c1nc3cc(C(F)(F)F)ccc3s1)CCNC2.CCC(C)CCCC(=O)Cc1sc2c(c1-c1nc3cc(F)ccc3s1)CCN(C(C)C)C2.CCCCC(=O)Cc1sc2c(c1-c1nc3ccccc3s1)CCNC2
• InChI: InChI=1S/C26H33FN2OS2.C24H27F3N2OS2.C24H32N4OS2.C20H22N2OS2/c1-5-17(4)7-6-8-19(30)14-23-25(20-11-12-29(16(2)3)15-24(20)31-23)26-28-21-13-18(27)9-10-22(21)32-26;1-3-14(2)5-4-6-16(30)12-20-22(17-9-10-28-13-21(17)31-20)23-29-18-11-15(24(25,26)27)7-8-19(18)32-23;1-15(2)28-13-11-16-19(14-28)31-23(27-20(29)10-12-25-24(3,4)5)21(16)22-26-17-8-6-7-9-18(17)30-22;1-2-3-6-13(23)11-17-19(14-9-10-21-12-18(14)24-17)20-22-15-7-4-5-8-16(15)25-20/h9-10,13,16-17H,5-8,11-12,14-15H2,1-4H3;7-8,11,14,28H,3-6,9-10,12-13H2,1-2H3;6-9,15,25H,10-14H2,1-5H3,(H,27,29);4-5,7-8,21H,2-3,6,9-12H2,1H3
• InChIKey: QYPRFFQLKHNRAF-UHFFFAOYSA-N
• XLogP: 24.76
• TPSA: 174.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.54
LogP ≤ 5	24.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one (CID 160555414) is N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one is CC(C)N1CCc2c(sc(NC(=O)CCNC(C)(C)C)c2-c2nc3ccccc3s2)C1.CCC(C)CCCC(=O)Cc1sc2c(c1-c1nc3cc(C(F)(F)F)ccc3s1)CCNC2.CCC(C)CCCC(=O)Cc1sc2c(c1-c1nc3cc(F)ccc3s1)CCN(C(C)C)C2.CCCCC(=O)Cc1sc2c(c1-c1nc3ccccc3s1)CCNC2.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

The InChIKey is QYPRFFQLKHNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2OS2.C24H27F3N2OS2.C24H32N4OS2.C20H22N2OS2/c1-5-17(4)7-6-8-19(30)14-23-25(20-11-12-29(16(2)3)15-24(20)31-23)26-28-21-13-18(27)9-10-22(21)32-26;1-3-14(2)5-4-6-16(30)12-20-22(17-9-10-28-13-21(17)31-20)23-29-18-11-15(24(25,26)27)7-8-19(18)32-23;1-15(2)28-13-11-16-19(14-28)31-23(27-20(29)10-12-25-24(3,4)5)21(16)22-26-17-8-6-7-9-18(17)30-22;1-2-3-6-13(23)11-17-19(14-9-10-21-12-18(14)24-17)20-22-15-7-4-5-8-16(15)25-20/h9-10,13,16-17H,5-8,11-12,14-15H2,1-4H3;7-8,11,14,28H,3-6,9-10,12-13H2,1-2H3;6-9,15,25H,10-14H2,1-5H3,(H,27,29);4-5,7-8,21H,2-3,6,9-12H2,1H3.

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one has a molecular weight of 1780.54 g/mol, XLogP of 24.76, 29 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(tert-butylamino)propanamide;1-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]hexan-2-one;1-[3-(5-fluoro-1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-6-methyloctan-2-one;6-methyl-1-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one is sourced from PubChem (CID 160555414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).