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

C21H19N5OS2 — CID 55790705

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55790705) has the molecular formula C21H19N5OS2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
• PubChem CID: 55790705
• Molecular Formula: C21H19N5OS2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.10
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(-c2cccs2)[nH]n1
• InChI: InChI=1S/C21H19N5OS2/c27-20(17-11-16(24-25-17)18-7-4-10-28-18)23-21-22-15-8-9-26(13-19(15)29-21)12-14-5-2-1-3-6-14/h1-7,10-11H,8-9,12-13H2,(H,24,25)(H,22,23,27)
• InChIKey: PKKCLLYXYQTVCR-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
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)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55790705) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

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

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(-c2cccs2)[nH]n1.

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

The InChIKey is PKKCLLYXYQTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS2/c27-20(17-11-16(24-25-17)18-7-4-10-28-18)23-21-22-15-8-9-26(13-19(15)29-21)12-14-5-2-1-3-6-14/h1-7,10-11H,8-9,12-13H2,(H,24,25)(H,22,23,27).

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 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)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55790705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).