N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C15H19N5O2S2 — CID 121496094

About N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 121496094) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
• PubChem CID: 121496094
• Molecular Formula: C15H19N5O2S2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.10
• IUPAC Name: N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
• SMILES: CC(=O)NCc1cc2n(n1)CCN(C(=O)CSc1nc(C)cs1)C2
• InChI: InChI=1S/C15H19N5O2S2/c1-10-8-23-15(17-10)24-9-14(22)19-3-4-20-13(7-19)5-12(18-20)6-16-11(2)21/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,21)
• InChIKey: JYXLOCGGTVCKKO-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?

The IUPAC name of N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 121496094) is N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?

The canonical SMILES for N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cc2n(n1)CCN(C(=O)CSc1nc(C)cs1)C2.

What is the InChIKey of N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?

The InChIKey is JYXLOCGGTVCKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c1-10-8-23-15(17-10)24-9-14(22)19-3-4-20-13(7-19)5-12(18-20)6-16-11(2)21/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,21).

What are the key properties of N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?

N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 121496094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).