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

C20H20N4O4S2 — CID 56765121

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

N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 56765121) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• PubChem CID: 56765121
• Molecular Formula: C20H20N4O4S2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.09
• IUPAC Name: N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• SMILES: COc1cccc(NC(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)c1OC
• InChI: InChI=1S/C20H20N4O4S2/c1-27-14-6-3-5-13(17(14)28-2)22-20(26)24-9-8-12-16(11-24)30-19(21-12)23-18(25)15-7-4-10-29-15/h3-7,10H,8-9,11H2,1-2H3,(H,22,26)(H,21,23,25)
• InChIKey: YGJPKOGWJAUPDC-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 92.79 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	444.54
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 56765121) is N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

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

The canonical SMILES for N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1cccc(NC(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)c1OC.

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

The InChIKey is YGJPKOGWJAUPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-27-14-6-3-5-13(17(14)28-2)22-20(26)24-9-8-12-16(11-24)30-19(21-12)23-18(25)15-7-4-10-29-15/h3-7,10H,8-9,11H2,1-2H3,(H,22,26)(H,21,23,25).

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

N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 56765121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).