tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C85H119ClN6O7S5 — CID 158172387

About tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 158172387) has the molecular formula C85H119ClN6O7S5 and a molecular weight of 1532.71 g/mol. Its IUPAC name is tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
• PubChem CID: 158172387
• Molecular Formula: C85H119ClN6O7S5
• Molecular Weight: 1532.71 g/mol
• Exact Mass: 1530.74
• IUPAC Name: tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCc2sc(Cl)cc2C1.CC(C)=Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1cc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4ncccc34)CC1)C2.CC(C)Cc1cc2c(s1)CCNC2
• InChI: InChI=1S/C30H38N2OS.C16H25NO2S.C16H23NO2S.C12H16ClNO2S.C11H17NS/c1-21(2)17-25-19-24-20-32(16-13-30(24)34-25)15-12-22-8-10-23(11-9-22)18-29(33)27-5-3-7-28-26(27)6-4-14-31-28;2*1-11(2)8-13-9-12-10-17(7-6-14(12)20-13)15(18)19-16(3,4)5;1-12(2,3)16-11(15)14-5-4-9-8(7-14)6-10(13)17-9;1-8(2)5-10-6-9-7-12-4-3-11(9)13-10/h3-7,14,19,21-23H,8-13,15-18,20H2,1-2H3;9,11H,6-8,10H2,1-5H3;8-9H,6-7,10H2,1-5H3;6H,4-5,7H2,1-3H3;6,8,12H,3-5,7H2,1-2H3
• InChIKey: FXPNTVYERCBIOZ-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 133.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.71
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?

The IUPAC name of tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 158172387) is tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

What is the SMILES notation for tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?

The canonical SMILES for tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC(C)(C)OC(=O)N1CCc2sc(Cl)cc2C1.CC(C)=Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)Cc1cc2c(s1)CCN(CCC1CCC(CC(=O)c3cccc4ncccc34)CC1)C2.CC(C)Cc1cc2c(s1)CCNC2.

What is the InChIKey of tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?

The InChIKey is FXPNTVYERCBIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2OS.C16H25NO2S.C16H23NO2S.C12H16ClNO2S.C11H17NS/c1-21(2)17-25-19-24-20-32(16-13-30(24)34-25)15-12-22-8-10-23(11-9-22)18-29(33)27-5-3-7-28-26(27)6-4-14-31-28;2*1-11(2)8-13-9-12-10-17(7-6-14(12)20-13)15(18)19-16(3,4)5;1-12(2,3)16-11(15)14-5-4-9-8(7-14)6-10(13)17-9;1-8(2)5-10-6-9-7-12-4-3-11(9)13-10/h3-7,14,19,21-23H,8-13,15-18,20H2,1-2H3;9,11H,6-8,10H2,1-5H3;8-9H,6-7,10H2,1-5H3;6H,4-5,7H2,1-3H3;6,8,12H,3-5,7H2,1-2H3.

What are the key properties of tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?

tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 1532.71 g/mol, XLogP of 22.31, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylprop-1-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2-[4-[2-[2-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;2-(2-methylpropyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 158172387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).