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

C21H21N5O4S — CID 90528632

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

N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90528632) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• PubChem CID: 90528632
• Molecular Formula: C21H21N5O4S
• Molecular Weight: 439.50 g/mol
• Exact Mass: 439.13
• IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1OC
• InChI: InChI=1S/C21H21N5O4S/c1-29-16-7-6-13(11-17(16)30-2)23-21(28)26-10-8-14-18(12-26)31-20(24-14)25-19(27)15-5-3-4-9-22-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,28)(H,24,25,27)
• InChIKey: SPEFKIOMYCECRZ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.50
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90528632) is N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

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

The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1OC.

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

The InChIKey is SPEFKIOMYCECRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-29-16-7-6-13(11-17(16)30-2)23-21(28)26-10-8-14-18(12-26)31-20(24-14)25-19(27)15-5-3-4-9-22-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,28)(H,24,25,27).

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

N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90528632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).