3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C22H20N4OS2 — CID 23772164

About 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 23772164) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
• PubChem CID: 23772164
• Molecular Formula: C22H20N4OS2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.11
• IUPAC Name: 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
• SMILES: CC1CCc2nc3sc(C(=O)Nc4nc(-c5ccccc5)cs4)c(N)c3cc2C1
• InChI: InChI=1S/C22H20N4OS2/c1-12-7-8-16-14(9-12)10-15-18(23)19(29-21(15)24-16)20(27)26-22-25-17(11-28-22)13-5-3-2-4-6-13/h2-6,10-12H,7-9,23H2,1H3,(H,25,26,27)
• InChIKey: VRGNVIYIGOFAOP-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The IUPAC name of 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 23772164) is 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

What is the SMILES notation for 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The canonical SMILES for 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CC1CCc2nc3sc(C(=O)Nc4nc(-c5ccccc5)cs4)c(N)c3cc2C1.

What is the InChIKey of 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The InChIKey is VRGNVIYIGOFAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-12-7-8-16-14(9-12)10-15-18(23)19(29-21(15)24-16)20(27)26-22-25-17(11-28-22)13-5-3-2-4-6-13/h2-6,10-12H,7-9,23H2,1H3,(H,25,26,27).

What are the key properties of 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 23772164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).