3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

C21H29N5OS2 — CID 24586631

About 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 24586631) has the molecular formula C21H29N5OS2 and a molecular weight of 431.63 g/mol. Its IUPAC name is 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 24586631
• Molecular Formula: C21H29N5OS2
• Molecular Weight: 431.63 g/mol
• Exact Mass: 431.18
• IUPAC Name: 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
• SMILES: Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc(CN4CCCC(C)C4)cs3)cc12
• InChI: InChI=1S/C21H29N5OS2/c1-13(2)9-26-20-17(15(4)24-26)8-18(29-20)19(27)23-21-22-16(12-28-21)11-25-7-5-6-14(3)10-25/h8,12-14H,5-7,9-11H2,1-4H3,(H,22,23,27)
• InChIKey: JPSLYMXPJXRKCK-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.63
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 24586631) is 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc(CN4CCCC(C)C4)cs3)cc12.

What is the InChIKey of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is JPSLYMXPJXRKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS2/c1-13(2)9-26-20-17(15(4)24-26)8-18(29-20)19(27)23-21-22-16(12-28-21)11-25-7-5-6-14(3)10-25/h8,12-14H,5-7,9-11H2,1-4H3,(H,22,23,27).

What are the key properties of 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?

3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 431.63 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 24586631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).