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

C17H17N5OS2 — CID 90528616

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

N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 90528616) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• PubChem CID: 90528616
• Molecular Formula: C17H17N5OS2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.09
• IUPAC Name: N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• SMILES: Cc1nc(CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cs1
• InChI: InChI=1S/C17H17N5OS2/c1-11-19-12(10-24-11)8-22-7-5-13-15(9-22)25-17(20-13)21-16(23)14-4-2-3-6-18-14/h2-4,6,10H,5,7-9H2,1H3,(H,20,21,23)
• InChIKey: YPMDDPNZBIKEMS-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 90528616) is N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

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

The canonical SMILES for N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is Cc1nc(CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cs1.

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

The InChIKey is YPMDDPNZBIKEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c1-11-19-12(10-24-11)8-22-7-5-13-15(9-22)25-17(20-13)21-16(23)14-4-2-3-6-18-14/h2-4,6,10H,5,7-9H2,1H3,(H,20,21,23).

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

N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90528616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).