N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane

C42H50N6O2S4 — CID 143820907

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

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane (PubChem CID 143820907) has the molecular formula C42H50N6O2S4 and a molecular weight of 799.17 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane
• PubChem CID: 143820907
• Molecular Formula: C42H50N6O2S4
• Molecular Weight: 799.17 g/mol
• Exact Mass: 798.29
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane
• SMILES: CC.CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2.CN1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1
• InChI: InChI=1S/C22H25N3OS2.C18H19N3OS2.C2H6/c1-25-12-11-15-18(13-25)28-22(24-20(26)14-7-3-2-4-8-14)19(15)21-23-16-9-5-6-10-17(16)27-21;1-3-15(22)20-18-16(11-8-9-21(2)10-14(11)24-18)17-19-12-6-4-5-7-13(12)23-17;1-2/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,24,26);4-7H,3,8-10H2,1-2H3,(H,20,22);1-2H3
• InChIKey: UUDSWZSVLFQYIH-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.17
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane (CID 143820907) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane is CC.CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2.CN1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane?

The InChIKey is UUDSWZSVLFQYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS2.C18H19N3OS2.C2H6/c1-25-12-11-15-18(13-25)28-22(24-20(26)14-7-3-2-4-8-14)19(15)21-23-16-9-5-6-10-17(16)27-21;1-3-15(22)20-18-16(11-8-9-21(2)10-14(11)24-18)17-19-12-6-4-5-7-13(12)23-17;1-2/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,24,26);4-7H,3,8-10H2,1-2H3,(H,20,22);1-2H3.

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane?

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane has a molecular weight of 799.17 g/mol, XLogP of 10.92, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclohexanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide;ethane is sourced from PubChem (CID 143820907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).