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

C21H25N5OS — CID 78851716

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

5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 78851716) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide
• PubChem CID: 78851716
• Molecular Formula: C21H25N5OS
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.18
• IUPAC Name: 5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide
• SMILES: CCc1c(C(=O)Nc2nc3c(s2)CN(CC)CC3)cnn1-c1ccc(C)cc1
• InChI: InChI=1S/C21H25N5OS/c1-4-18-16(12-22-26(18)15-8-6-14(3)7-9-15)20(27)24-21-23-17-10-11-25(5-2)13-19(17)28-21/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,23,24,27)
• InChIKey: DAUVBDNMXXCBGZ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 78851716) is 5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide.

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

The canonical SMILES for 5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2nc3c(s2)CN(CC)CC3)cnn1-c1ccc(C)cc1.

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

The InChIKey is DAUVBDNMXXCBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-4-18-16(12-22-26(18)15-8-6-14(3)7-9-15)20(27)24-21-23-17-10-11-25(5-2)13-19(17)28-21/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,23,24,27).

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

5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78851716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).