2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid

C8H11N3O3S2 — CID 64581891

IUPAC2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCC(=O)NC(CSc1nnc(C)s1)C(=O)O
InChIInChI=1S/C8H11N3O3S2/c1-4(12)9-6(7(13)14)3-15-8-11-10-5(2)16-8/h6H,3H2,1-2H3,(H,9,12)(H,13,14)
InChIKeyRQJWRXZEMMAERT-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.53
Rot. Bonds5

About 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid

2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 64581891) has the molecular formula C8H11N3O3S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
PubChem CID64581891
Molecular FormulaC8H11N3O3S2
Molecular Weight261.33 g/mol
Exact Mass261.02
IUPAC Name2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCC(=O)NC(CSc1nnc(C)s1)C(=O)O
InChIInChI=1S/C8H11N3O3S2/c1-4(12)9-6(7(13)14)3-15-8-11-10-5(2)16-8/h6H,3H2,1-2H3,(H,9,12)(H,13,14)
InChIKeyRQJWRXZEMMAERT-UHFFFAOYSA-N
XLogP0.53
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (CID 64581891) is 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is CC(=O)NC(CSc1nnc(C)s1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is RQJWRXZEMMAERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S2/c1-4(12)9-6(7(13)14)3-15-8-11-10-5(2)16-8/h6H,3H2,1-2H3,(H,9,12)(H,13,14).
What are the key properties of 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 261.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 64581891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).