2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

C15H18N6O2S — CID 77082138

IUPAC2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1cc(=O)n2[nH]c(CC(=O)NCCCc3scnc3C)nc2n1
InChIInChI=1S/C15H18N6O2S/c1-9-6-14(23)21-15(18-9)19-12(20-21)7-13(22)16-5-3-4-11-10(2)17-8-24-11/h6,8H,3-5,7H2,1-2H3,(H,16,22)(H,18,19,20)
InChIKeyGWNYFJCCOLGTCI-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.78
Rot. Bonds6

About 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (PubChem CID 77082138) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
PubChem CID77082138
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1cc(=O)n2[nH]c(CC(=O)NCCCc3scnc3C)nc2n1
InChIInChI=1S/C15H18N6O2S/c1-9-6-14(23)21-15(18-9)19-12(20-21)7-13(22)16-5-3-4-11-10(2)17-8-24-11/h6,8H,3-5,7H2,1-2H3,(H,16,22)(H,18,19,20)
InChIKeyGWNYFJCCOLGTCI-UHFFFAOYSA-N
XLogP0.78
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (CID 77082138) is 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is Cc1cc(=O)n2[nH]c(CC(=O)NCCCc3scnc3C)nc2n1.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The InChIKey is GWNYFJCCOLGTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-9-6-14(23)21-15(18-9)19-12(20-21)7-13(22)16-5-3-4-11-10(2)17-8-24-11/h6,8H,3-5,7H2,1-2H3,(H,16,22)(H,18,19,20).
What are the key properties of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide has a molecular weight of 346.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 77082138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).