2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

C11H19N5O2S — CID 9379497

IUPAC2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCn1cnnc1SCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H19N5O2S/c1-4-16-7-13-15-11(16)19-6-10(18)12-5-9(17)14-8(2)3/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,17)
InChIKeyQSPRGGVAFPIMST-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.03
Rot. Bonds7

About 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide

2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9379497) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID9379497
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
SMILESCCn1cnnc1SCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H19N5O2S/c1-4-16-7-13-15-11(16)19-6-10(18)12-5-9(17)14-8(2)3/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,17)
InChIKeyQSPRGGVAFPIMST-UHFFFAOYSA-N
XLogP0.03
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide (CID 9379497) is 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide is CCn1cnnc1SCC(=O)NCC(=O)NC(C)C.
What is the InChIKey of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is QSPRGGVAFPIMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-4-16-7-13-15-11(16)19-6-10(18)12-5-9(17)14-8(2)3/h7-8H,4-6H2,1-3H3,(H,12,18)(H,14,17).
What are the key properties of 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9379497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).