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

C8H11N3OS2 — CID 2994294

IUPACN-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CC2)s1
InChIInChI=1S/C8H11N3OS2/c1-5-10-11-8(14-5)13-4-7(12)9-6-2-3-6/h6H,2-4H2,1H3,(H,9,12)
InChIKeyXOQBDWGBPJVSBD-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.22
Rot. Bonds4

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

N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2994294) has the molecular formula C8H11N3OS2 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID2994294
Molecular FormulaC8H11N3OS2
Molecular Weight229.33 g/mol
Exact Mass229.03
IUPAC NameN-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CC2)s1
InChIInChI=1S/C8H11N3OS2/c1-5-10-11-8(14-5)13-4-7(12)9-6-2-3-6/h6H,2-4H2,1H3,(H,9,12)
InChIKeyXOQBDWGBPJVSBD-UHFFFAOYSA-N
XLogP1.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 2994294) is N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XOQBDWGBPJVSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS2/c1-5-10-11-8(14-5)13-4-7(12)9-6-2-3-6/h6H,2-4H2,1H3,(H,9,12).
What are the key properties of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 229.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2994294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).