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

C7H11N3OS2 — CID 56736212

IUPACN-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCNC(=O)CSc1nnc(C)s1
InChIInChI=1S/C7H11N3OS2/c1-3-8-6(11)4-12-7-10-9-5(2)13-7/h3-4H2,1-2H3,(H,8,11)
InChIKeyTUUXEYYDXYAYAU-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.07
Rot. Bonds4

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

N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 56736212) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID56736212
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC NameN-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCNC(=O)CSc1nnc(C)s1
InChIInChI=1S/C7H11N3OS2/c1-3-8-6(11)4-12-7-10-9-5(2)13-7/h3-4H2,1-2H3,(H,8,11)
InChIKeyTUUXEYYDXYAYAU-UHFFFAOYSA-N
XLogP1.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 56736212) is N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCNC(=O)CSc1nnc(C)s1.
What is the InChIKey of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is TUUXEYYDXYAYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-3-8-6(11)4-12-7-10-9-5(2)13-7/h3-4H2,1-2H3,(H,8,11).
What are the key properties of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 217.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 56736212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).