N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C20H20N4O5S — CID 90526763

About N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90526763) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• PubChem CID: 90526763
• Molecular Formula: C20H20N4O5S
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.12
• IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• SMILES: COc1cc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc(OC)c1
• InChI: InChI=1S/C20H20N4O5S/c1-27-13-8-12(9-14(10-13)28-2)21-20(26)24-6-5-15-17(11-24)30-19(22-15)23-18(25)16-4-3-7-29-16/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,26)(H,22,23,25)
• InChIKey: RXIWXEMEBCFURM-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 105.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90526763) is N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1cc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc(OC)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The InChIKey is RXIWXEMEBCFURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-27-13-8-12(9-14(10-13)28-2)21-20(26)24-6-5-15-17(11-24)30-19(22-15)23-18(25)16-4-3-7-29-16/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,26)(H,22,23,25).

What are the key properties of N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90526763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).