2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C8H14N4O2S — CID 3212469

IUPAC2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(C)nnc1SCC(N)=O
InChIInChI=1S/C8H14N4O2S/c1-6-10-11-8(15-5-7(9)13)12(6)3-4-14-2/h3-5H2,1-2H3,(H2,9,13)
InChIKeyBADMQINFJDNYFT-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.19
Rot. Bonds6

About 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 3212469) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID3212469
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(C)nnc1SCC(N)=O
InChIInChI=1S/C8H14N4O2S/c1-6-10-11-8(15-5-7(9)13)12(6)3-4-14-2/h3-5H2,1-2H3,(H2,9,13)
InChIKeyBADMQINFJDNYFT-UHFFFAOYSA-N
XLogP-0.19
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1089226
Carbamic acid 2-(4,5-dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethyl ester
CID 647969
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 803118
2-[(4-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855309
2-(5-Isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 654957
2-(4-Methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451285
2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3212495
4-[2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine;ethanedioic acid
CID 651785
N-(2-methoxyethylcarbamoyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16249745
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 1451146
2-[(4-Methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451228
2-[(4-ethyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451229

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 3212469) is 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is COCCn1c(C)nnc1SCC(N)=O.
What is the InChIKey of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is BADMQINFJDNYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6-10-11-8(15-5-7(9)13)12(6)3-4-14-2/h3-5H2,1-2H3,(H2,9,13).
What are the key properties of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 230.29 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 3212469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).