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

C8H13N3O2S2 — CID 7474296

IUPACN-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(C)s1
InChIInChI=1S/C8H13N3O2S2/c1-6-10-11-8(15-6)14-5-7(12)9-3-4-13-2/h3-5H2,1-2H3,(H,9,12)
InChIKeyJDVPUVLONLTTPB-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.70
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7474296) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID7474296
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC NameN-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(C)s1
InChIInChI=1S/C8H13N3O2S2/c1-6-10-11-8(15-6)14-5-7(12)9-3-4-13-2/h3-5H2,1-2H3,(H,9,12)
InChIKeyJDVPUVLONLTTPB-UHFFFAOYSA-N
XLogP0.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 2141536
4-{[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}morpholine
CID 673914
(2-(5-ME-(1,3,4)Thiadiazol-2-ylsulfanyl)-acetylamino)-acetic acid ethyl ester
CID 2729284
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 45853810
N-ethyl-N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide
CID 46991098
N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide
CID 54200270
N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 54348711
5-hexylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 54488197
5-butan-2-ylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 57315498
N-(2-hydroxyethyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 3609076
N-(2-hydroxypropyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 4081812
N-(2-hydroxy-isopropyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 4668021

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 7474296) is N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COCCNC(=O)CSc1nnc(C)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JDVPUVLONLTTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-6-10-11-8(15-6)14-5-7(12)9-3-4-13-2/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7474296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).