2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C25H21N3O3S — CID 112760830

About 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 112760830) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
• PubChem CID: 112760830
• Molecular Formula: C25H21N3O3S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.13
• IUPAC Name: 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
• SMILES: Cc1ccc(-c2csc(NC(=O)C3Cc4ccccc4CN3C(=O)c3ccco3)n2)cc1
• InChI: InChI=1S/C25H21N3O3S/c1-16-8-10-17(11-9-16)20-15-32-25(26-20)27-23(29)21-13-18-5-2-3-6-19(18)14-28(21)24(30)22-7-4-12-31-22/h2-12,15,21H,13-14H2,1H3,(H,26,27,29)
• InChIKey: SVLODWDVAPYBRP-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The IUPAC name of 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 112760830) is 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

What is the SMILES notation for 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The canonical SMILES for 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is Cc1ccc(-c2csc(NC(=O)C3Cc4ccccc4CN3C(=O)c3ccco3)n2)cc1.

What is the InChIKey of 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The InChIKey is SVLODWDVAPYBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-16-8-10-17(11-9-16)20-15-32-25(26-20)27-23(29)21-13-18-5-2-3-6-19(18)14-28(21)24(30)22-7-4-12-31-22/h2-12,15,21H,13-14H2,1H3,(H,26,27,29).

What are the key properties of 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 112760830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).