N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

C21H21N3O6S — CID 90526475

About N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 90526475) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 90526475
• Molecular Formula: C21H21N3O6S
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.12
• IUPAC Name: N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: COc1cc(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc(OC)c1OC
• InChI: InChI=1S/C21H21N3O6S/c1-27-15-9-12(10-16(28-2)18(15)29-3)20(26)24-7-6-13-17(11-24)31-21(22-13)23-19(25)14-5-4-8-30-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23,25)
• InChIKey: AGNOLNTWMVBPGC-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 103.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 90526475) is N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is COc1cc(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc(OC)c1OC.

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

The InChIKey is AGNOLNTWMVBPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-27-15-9-12(10-16(28-2)18(15)29-3)20(26)24-7-6-13-17(11-24)31-21(22-13)23-19(25)14-5-4-8-30-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23,25).

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

N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90526475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).