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

C28H26N4OS2 — CID 3435047

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

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylquinoline-7-carboxamide (PubChem CID 3435047) has the molecular formula C28H26N4OS2 and a molecular weight of 498.68 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]-2-methylquinoline-7-carboxamide.

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]-2-methylquinoline-7-carboxamide
• PubChem CID: 3435047
• Molecular Formula: C28H26N4OS2
• Molecular Weight: 498.68 g/mol
• Exact Mass: 498.15
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylquinoline-7-carboxamide
• SMILES: Cc1ccc2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CCN(C(C)C)C4)cc2n1
• InChI: InChI=1S/C28H26N4OS2/c1-16(2)32-13-12-20-24(15-32)35-28(25(20)27-30-21-6-4-5-7-23(21)34-27)31-26(33)19-11-10-18-9-8-17(3)29-22(18)14-19/h4-11,14,16H,12-13,15H2,1-3H3,(H,31,33)
• InChIKey: JSUBTGYROHNEEW-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.68
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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]-2-methylquinoline-7-carboxamide?

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]-2-methylquinoline-7-carboxamide (CID 3435047) is N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylquinoline-7-carboxamide.

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]-2-methylquinoline-7-carboxamide?

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]-2-methylquinoline-7-carboxamide is Cc1ccc2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CCN(C(C)C)C4)cc2n1.

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]-2-methylquinoline-7-carboxamide?

The InChIKey is JSUBTGYROHNEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4OS2/c1-16(2)32-13-12-20-24(15-32)35-28(25(20)27-30-21-6-4-5-7-23(21)34-27)31-26(33)19-11-10-18-9-8-17(3)29-22(18)14-19/h4-11,14,16H,12-13,15H2,1-3H3,(H,31,33).

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]-2-methylquinoline-7-carboxamide?

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylquinoline-7-carboxamide has a molecular weight of 498.68 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-methylquinoline-7-carboxamide is sourced from PubChem (CID 3435047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).