2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

C6H7N3O3S3 — CID 58800883

IUPAC2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESNC(=O)CSc1nnc(SCC(=O)O)s1
InChIInChI=1S/C6H7N3O3S3/c7-3(10)1-13-5-8-9-6(15-5)14-2-4(11)12/h1-2H2,(H2,7,10)(H,11,12)
InChIKeyXYZJLUCCTQQILT-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.29
Rot. Bonds6

About 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 58800883) has the molecular formula C6H7N3O3S3 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
PubChem CID58800883
Molecular FormulaC6H7N3O3S3
Molecular Weight265.34 g/mol
Exact Mass264.96
IUPAC Name2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESNC(=O)CSc1nnc(SCC(=O)O)s1
InChIInChI=1S/C6H7N3O3S3/c7-3(10)1-13-5-8-9-6(15-5)14-2-4(11)12/h1-2H2,(H2,7,10)(H,11,12)
InChIKeyXYZJLUCCTQQILT-UHFFFAOYSA-N
XLogP0.29
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (CID 58800883) is 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is NC(=O)CSc1nnc(SCC(=O)O)s1.
What is the InChIKey of 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is XYZJLUCCTQQILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S3/c7-3(10)1-13-5-8-9-6(15-5)14-2-4(11)12/h1-2H2,(H2,7,10)(H,11,12).
What are the key properties of 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 265.34 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 58800883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).