N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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

C109H125N19O4S8 — CID 158256222

About N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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 158256222) has the molecular formula C109H125N19O4S8 and a molecular weight of 2021.86 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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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: 158256222
• Molecular Formula: C109H125N19O4S8
• Molecular Weight: 2021.86 g/mol
• Exact Mass: 2019.79
• 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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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)CCN3CCc4ccccc4C3)c2-c2nc3ccccc3s2)C1.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)c1ccccc1
• InChI: InChI=1S/C29H32N4OS2.C28H32N4OS2.C27H31N5OS2.C25H30N6OS2/c1-19(2)33-16-12-22-25(18-33)36-29(27(22)28-30-23-9-5-6-10-24(23)35-28)31-26(34)13-15-32-14-11-20-7-3-4-8-21(20)17-32;1-18(2)32-16-14-21-24(17-32)35-28(26(21)27-30-22-11-7-8-12-23(22)34-27)31-25(33)13-15-29-19(3)20-9-5-4-6-10-20;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/h3-10,19H,11-18H2,1-2H3,(H,31,34);4-12,18-19,29H,13-17H2,1-3H3,(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: GHHYVRCSTYJGJZ-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 250.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2021.86
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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 158256222) is N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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)CCN3CCc4ccccc4C3)c2-c2nc3ccccc3s2)C1.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)c1ccccc1.

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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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 GHHYVRCSTYJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4OS2.C28H32N4OS2.C27H31N5OS2.C25H30N6OS2/c1-19(2)33-16-12-22-25(18-33)36-29(27(22)28-30-23-9-5-6-10-24(23)35-28)31-26(34)13-15-32-14-11-20-7-3-4-8-21(20)17-32;1-18(2)32-16-14-21-24(17-32)35-28(26(21)27-30-22-11-7-8-12-23(22)34-27)31-25(33)13-15-29-19(3)20-9-5-4-6-10-20;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/h3-10,19H,11-18H2,1-2H3,(H,31,34);4-12,18-19,29H,13-17H2,1-3H3,(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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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 2021.86 g/mol, XLogP of 22.64, 31 rotatable bonds, 7 hydrogen bond donors, and 27 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-(3,4-dihydro-1H-isoquinolin-2-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-[(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-phenylethylamino)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 158256222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).