2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

C15H25N5O2S — CID 50953557

IUPAC2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1nnsc1CNC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C15H25N5O2S/c1-9(2)14-12(23-19-18-14)8-17-13(21)7-11-15(22)16-5-6-20(11)10(3)4/h9-11H,5-8H2,1-4H3,(H,16,22)(H,17,21)
InChIKeyVIZPQRMVKWVZDB-UHFFFAOYSA-N
MW339.47 g/mol
LogP0.88
Rot. Bonds6

About 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (PubChem CID 50953557) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
PubChem CID50953557
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1nnsc1CNC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C15H25N5O2S/c1-9(2)14-12(23-19-18-14)8-17-13(21)7-11-15(22)16-5-6-20(11)10(3)4/h9-11H,5-8H2,1-4H3,(H,16,22)(H,17,21)
InChIKeyVIZPQRMVKWVZDB-UHFFFAOYSA-N
XLogP0.88
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (CID 50953557) is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is CC(C)c1nnsc1CNC(=O)CC1C(=O)NCCN1C(C)C.
What is the InChIKey of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is VIZPQRMVKWVZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-9(2)14-12(23-19-18-14)8-17-13(21)7-11-15(22)16-5-6-20(11)10(3)4/h9-11H,5-8H2,1-4H3,(H,16,22)(H,17,21).
What are the key properties of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 339.47 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50953557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).