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

C11H16N6O2S2 — CID 3212484

IUPAC2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCCn1c(C)nnc1SCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C11H16N6O2S2/c1-7-13-16-11(17(7)4-5-19-3)20-6-9(18)12-10-15-14-8(2)21-10/h4-6H2,1-3H3,(H,12,15,18)
InChIKeyHSMVFYAONPVOMZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.12
Rot. Bonds7

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

2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3212484) has the molecular formula C11H16N6O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3212484
Molecular FormulaC11H16N6O2S2
Molecular Weight328.42 g/mol
Exact Mass328.08
IUPAC Name2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCCn1c(C)nnc1SCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C11H16N6O2S2/c1-7-13-16-11(17(7)4-5-19-3)20-6-9(18)12-10-15-14-8(2)21-10/h4-6H2,1-3H3,(H,12,15,18)
InChIKeyHSMVFYAONPVOMZ-UHFFFAOYSA-N
XLogP1.12
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-{[5-ethyl-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6464564
2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6467826
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-methyl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 655045
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-propyl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 24792517
2-[[4-(2-Methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3212469
2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 855315
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 860731
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1451211
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451298
2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1451299
2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1451382
2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3212485

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3212484) is 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is COCCn1c(C)nnc1SCC(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HSMVFYAONPVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S2/c1-7-13-16-11(17(7)4-5-19-3)20-6-9(18)12-10-15-14-8(2)21-10/h4-6H2,1-3H3,(H,12,15,18).
What are the key properties of 2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3212484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).