N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide

C68H87N13O3S6 — CID 157164397

About N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 157164397) has the molecular formula C68H87N13O3S6 and a molecular weight of 1326.93 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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide.

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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide
• PubChem CID: 157164397
• Molecular Formula: C68H87N13O3S6
• Molecular Weight: 1326.93 g/mol
• Exact Mass: 1325.54
• 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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide
• SMILES: CC(C)N1CCc2c(sc(NC(=O)CCN(C)C)c2-c2nc3ccccc3s2)C1.CC(C)N1CCc2c(sc(NC(=O)CCN3CCN(C)CC3)c2-c2nc3ccccc3s2)C1.CNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2
• InChI: InChI=1S/C25H33N5OS2.C22H28N4OS2.C21H26N4OS2/c1-17(2)30-11-8-18-21(16-30)33-25(23(18)24-26-19-6-4-5-7-20(19)32-24)27-22(31)9-10-29-14-12-28(3)13-15-29;1-14(2)26-12-9-15-18(13-26)29-22(24-19(27)10-11-25(3)4)20(15)21-23-16-7-5-6-8-17(16)28-21;1-13(2)25-11-9-14-17(12-25)28-21(24-18(26)8-10-22-3)19(14)20-23-15-6-4-5-7-16(15)27-20/h4-7,17H,8-16H2,1-3H3,(H,27,31);5-8,14H,9-13H2,1-4H3,(H,24,27);4-7,13,22H,8-12H2,1-3H3,(H,24,26)
• InChIKey: AMSWWEJRNRZEOJ-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 157.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1326.93
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide?

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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide (CID 157164397) is N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide.

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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide?

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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide is CC(C)N1CCc2c(sc(NC(=O)CCN(C)C)c2-c2nc3ccccc3s2)C1.CC(C)N1CCc2c(sc(NC(=O)CCN3CCN(C)CC3)c2-c2nc3ccccc3s2)C1.CNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2.

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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide?

The InChIKey is AMSWWEJRNRZEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5OS2.C22H28N4OS2.C21H26N4OS2/c1-17(2)30-11-8-18-21(16-30)33-25(23(18)24-26-19-6-4-5-7-20(19)32-24)27-22(31)9-10-29-14-12-28(3)13-15-29;1-14(2)26-12-9-15-18(13-26)29-22(24-19(27)10-11-25(3)4)20(15)21-23-16-7-5-6-8-17(16)28-21;1-13(2)25-11-9-14-17(12-25)28-21(24-18(26)8-10-22-3)19(14)20-23-15-6-4-5-7-16(15)27-20/h4-7,17H,8-16H2,1-3H3,(H,27,31);5-8,14H,9-13H2,1-4H3,(H,24,27);4-7,13,22H,8-12H2,1-3H3,(H,24,26).

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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide?

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 1326.93 g/mol, XLogP of 13.39, 18 rotatable bonds, 4 hydrogen bond donors, and 19 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-(dimethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(methylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 157164397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).