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

C23H25N5OS — CID 112773703

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 112773703) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
• PubChem CID: 112773703
• Molecular Formula: C23H25N5OS
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.18
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(N2CCCC2)ccn1
• InChI: InChI=1S/C23H25N5OS/c29-22(20-14-18(8-10-24-20)28-11-4-5-12-28)26-23-25-19-9-13-27(16-21(19)30-23)15-17-6-2-1-3-7-17/h1-3,6-8,10,14H,4-5,9,11-13,15-16H2,(H,25,26,29)
• InChIKey: RMUWVXRNVKOFJI-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 112773703) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

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

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(N2CCCC2)ccn1.

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

The InChIKey is RMUWVXRNVKOFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c29-22(20-14-18(8-10-24-20)28-11-4-5-12-28)26-23-25-19-9-13-27(16-21(19)30-23)15-17-6-2-1-3-7-17/h1-3,6-8,10,14H,4-5,9,11-13,15-16H2,(H,25,26,29).

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 112773703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).