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

C79H92N16O3S6 — CID 158164853

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

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide (PubChem CID 158164853) has the molecular formula C79H92N16O3S6 and a molecular weight of 1506.12 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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide
• PubChem CID: 158164853
• Molecular Formula: C79H92N16O3S6
• Molecular Weight: 1506.12 g/mol
• Exact Mass: 1504.59
• 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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide
• SMILES: CC(C)N1CCc2c(sc(NC(=O)CCNCCc3cccnc3)c2-c2nc3ccccc3s2)C1.CC(C)N1CCc2c(sc(NC(=O)CCNCc3cnn(C)c3)c2-c2nc3ccccc3s2)C1.CC(NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2)c1ccncc1
• InChI: InChI=1S/2C27H31N5OS2.C25H30N6OS2/c1-17(2)32-15-11-20-23(16-32)35-27(25(20)26-30-21-6-4-5-7-22(21)34-26)31-24(33)10-14-29-18(3)19-8-12-28-13-9-19;1-18(2)32-15-11-20-23(17-32)35-27(25(20)26-30-21-7-3-4-8-22(21)34-26)31-24(33)10-14-28-13-9-19-6-5-12-29-16-19;1-16(2)31-11-9-18-21(15-31)34-25(23(18)24-28-19-6-4-5-7-20(19)33-24)29-22(32)8-10-26-12-17-13-27-30(3)14-17/h4-9,12-13,17-18,29H,10-11,14-16H2,1-3H3,(H,31,33);3-8,12,16,18,28H,9-11,13-15,17H2,1-2H3,(H,31,33);4-7,13-14,16,26H,8-12,15H2,1-3H3,(H,29,32)
• InChIKey: FWSFUNYNOLSIIJ-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 215.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1506.12
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide (CID 158164853) is N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide is CC(C)N1CCc2c(sc(NC(=O)CCNCCc3cccnc3)c2-c2nc3ccccc3s2)C1.CC(C)N1CCc2c(sc(NC(=O)CCNCc3cnn(C)c3)c2-c2nc3ccccc3s2)C1.CC(NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2)c1ccncc1.

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

The InChIKey is FWSFUNYNOLSIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31N5OS2.C25H30N6OS2/c1-17(2)32-15-11-20-23(16-32)35-27(25(20)26-30-21-6-4-5-7-22(21)34-26)31-24(33)10-14-29-18(3)19-8-12-28-13-9-19;1-18(2)32-15-11-20-23(17-32)35-27(25(20)26-30-21-7-3-4-8-22(21)34-26)31-24(33)10-14-28-13-9-19-6-5-12-29-16-19;1-16(2)31-11-9-18-21(15-31)34-25(23(18)24-28-19-6-4-5-7-20(19)33-24)29-22(32)8-10-26-12-17-13-27-30(3)14-17/h4-9,12-13,17-18,29H,10-11,14-16H2,1-3H3,(H,31,33);3-8,12,16,18,28H,9-11,13-15,17H2,1-2H3,(H,31,33);4-7,13-14,16,26H,8-12,15H2,1-3H3,(H,29,32).

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

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide has a molecular weight of 1506.12 g/mol, XLogP of 15.86, 25 rotatable bonds, 6 hydrogen bond donors, and 22 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-[(1-methylpyrazol-4-yl)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-(1-pyridin-4-ylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide is sourced from PubChem (CID 158164853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).