2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C19H21N5O2S — CID 58894132

IUPAC2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)C1CC(CC(=O)Nc2nc3nccc(-c4cccs4)n3n2)C1(C)C
InChIInChI=1S/C19H21N5O2S/c1-11(25)13-9-12(19(13,2)3)10-16(26)21-17-22-18-20-7-6-14(24(18)23-17)15-5-4-8-27-15/h4-8,12-13H,9-10H2,1-3H3,(H,21,23,26)
InChIKeyUVXUGYSCLOVQPU-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 58894132) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID58894132
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)C1CC(CC(=O)Nc2nc3nccc(-c4cccs4)n3n2)C1(C)C
InChIInChI=1S/C19H21N5O2S/c1-11(25)13-9-12(19(13,2)3)10-16(26)21-17-22-18-20-7-6-14(24(18)23-17)15-5-4-8-27-15/h4-8,12-13H,9-10H2,1-3H3,(H,21,23,26)
InChIKeyUVXUGYSCLOVQPU-UHFFFAOYSA-N
XLogP3.43
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 58894132) is 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=O)C1CC(CC(=O)Nc2nc3nccc(-c4cccs4)n3n2)C1(C)C.
What is the InChIKey of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is UVXUGYSCLOVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-11(25)13-9-12(19(13,2)3)10-16(26)21-17-22-18-20-7-6-14(24(18)23-17)15-5-4-8-27-15/h4-8,12-13H,9-10H2,1-3H3,(H,21,23,26).
What are the key properties of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 383.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 58894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).