2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

C17H19N5O2S — CID 2227932

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H19N5O2S/c1-4-24-14-7-5-13(6-8-14)19-15(23)10-25-17-20-16-18-11(2)9-12(3)22(16)21-17/h5-9H,4,10H2,1-3H3,(H,19,23)
InChIKeyCLEWCFRHMHCQEP-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.87
Rot. Bonds6

About 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 2227932) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID2227932
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H19N5O2S/c1-4-24-14-7-5-13(6-8-14)19-15(23)10-25-17-20-16-18-11(2)9-12(3)22(16)21-17/h5-9H,4,10H2,1-3H3,(H,19,23)
InChIKeyCLEWCFRHMHCQEP-UHFFFAOYSA-N
XLogP2.87
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CID 2227932) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is CLEWCFRHMHCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-4-24-14-7-5-13(6-8-14)19-15(23)10-25-17-20-16-18-11(2)9-12(3)22(16)21-17/h5-9H,4,10H2,1-3H3,(H,19,23).
What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2227932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).