2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide

C59H60N10O12S3 — CID 158299294

About 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide

2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 158299294) has the molecular formula C59H60N10O12S3 and a molecular weight of 1197.39 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
• PubChem CID: 158299294
• Molecular Formula: C59H60N10O12S3
• Molecular Weight: 1197.39 g/mol
• Exact Mass: 1196.36
• IUPAC Name: 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1.Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1.O=C(CN1CC=CCC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
• InChI: InChI=1S/C20H19N3O4S.C20H23N3O4S.C19H18N4O4S/c1-12-4-5-14(11-21-12)19(25)23-20-22-16(15-3-2-8-27-15)18(28-20)17(24)13-6-9-26-10-7-13;24-16(13-23-8-2-1-3-9-23)21-20-22-17(15-5-4-10-27-15)19(28-20)18(25)14-6-11-26-12-7-14;1-11-20-9-13(10-21-11)18(25)23-19-22-15(14-3-2-6-27-14)17(28-19)16(24)12-4-7-26-8-5-12/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,23,25);1-2,4-5,10,14H,3,6-9,11-13H2,(H,21,22,24);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,22,23,25)
• InChIKey: GMHODHXMLZVXPE-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 286.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.39
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (CID 158299294) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.

What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1.Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1.O=C(CN1CC=CCC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1.

What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

The InChIKey is GMHODHXMLZVXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S.C20H23N3O4S.C19H18N4O4S/c1-12-4-5-14(11-21-12)19(25)23-20-22-16(15-3-2-8-27-15)18(28-20)17(24)13-6-9-26-10-7-13;24-16(13-23-8-2-1-3-9-23)21-20-22-17(15-5-4-10-27-15)19(28-20)18(25)14-6-11-26-12-7-14;1-11-20-9-13(10-21-11)18(25)23-19-22-15(14-3-2-6-27-14)17(28-19)16(24)12-4-7-26-8-5-12/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,23,25);1-2,4-5,10,14H,3,6-9,11-13H2,(H,21,22,24);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,22,23,25).

What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?

2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 1197.39 g/mol, XLogP of 10.54, 16 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 158299294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).