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

C20H15N5O2S — CID 90528466

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

N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 90528466) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• PubChem CID: 90528466
• Molecular Formula: C20H15N5O2S
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.09
• IUPAC Name: N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• SMILES: N#Cc1ccc(C(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1
• InChI: InChI=1S/C20H15N5O2S/c21-11-13-4-6-14(7-5-13)19(27)25-10-8-15-17(12-25)28-20(23-15)24-18(26)16-3-1-2-9-22-16/h1-7,9H,8,10,12H2,(H,23,24,26)
• InChIKey: KILNFVVSPOHTIR-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 90528466) is N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

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

The canonical SMILES for N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1.

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

The InChIKey is KILNFVVSPOHTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c21-11-13-4-6-14(7-5-13)19(27)25-10-8-15-17(12-25)28-20(23-15)24-18(26)16-3-1-2-9-22-16/h1-7,9H,8,10,12H2,(H,23,24,26).

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

N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90528466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).