N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

C11H19N5O3S — CID 8580508

IUPACN-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCCCn1c(SCC(=O)NCC(=O)NCC)n[nH]c1=O
InChIInChI=1S/C11H19N5O3S/c1-3-5-16-10(19)14-15-11(16)20-7-9(18)13-6-8(17)12-4-2/h3-7H2,1-2H3,(H,12,17)(H,13,18)(H,14,19)
InChIKeyBTXVPRVFBQUKFT-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.67
Rot. Bonds8

About N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 8580508) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
PubChem CID8580508
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCCCn1c(SCC(=O)NCC(=O)NCC)n[nH]c1=O
InChIInChI=1S/C11H19N5O3S/c1-3-5-16-10(19)14-15-11(16)20-7-9(18)13-6-8(17)12-4-2/h3-7H2,1-2H3,(H,12,17)(H,13,18)(H,14,19)
InChIKeyBTXVPRVFBQUKFT-UHFFFAOYSA-N
XLogP-0.67
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (CID 8580508) is N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is CCCn1c(SCC(=O)NCC(=O)NCC)n[nH]c1=O.
What is the InChIKey of N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is BTXVPRVFBQUKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-3-5-16-10(19)14-15-11(16)20-7-9(18)13-6-8(17)12-4-2/h3-7H2,1-2H3,(H,12,17)(H,13,18)(H,14,19).
What are the key properties of N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 301.37 g/mol, XLogP of -0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 8580508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).