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

C5H7N3O2S2 — CID 45134919

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCC(Sc1nnc(N)s1)C(=O)O
InChIInChI=1S/C5H7N3O2S2/c1-2(3(9)10)11-5-8-7-4(6)12-5/h2H,1H3,(H2,6,7)(H,9,10)
InChIKeyQRAIOWDNXKGEFD-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.69
Rot. Bonds3

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 45134919) has the molecular formula C5H7N3O2S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
PubChem CID45134919
Molecular FormulaC5H7N3O2S2
Molecular Weight205.26 g/mol
Exact Mass205.00
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
SMILESCC(Sc1nnc(N)s1)C(=O)O
InChIInChI=1S/C5H7N3O2S2/c1-2(3(9)10)11-5-8-7-4(6)12-5/h2H,1H3,(H2,6,7)(H,9,10)
InChIKeyQRAIOWDNXKGEFD-UHFFFAOYSA-N
XLogP0.69
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 19199985
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylbutyl)propanamide
CID 43112283
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 4814927
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 2637961
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(azepan-1-yl)propan-1-one
CID 40919102
4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 21232581
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 51480183
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-phenylpropanamide
CID 2673747
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7760118
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3-chlorophenyl)propan-1-one
CID 4035990
2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 23006992
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 29378697

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid (CID 45134919) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is CC(Sc1nnc(N)s1)C(=O)O.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is QRAIOWDNXKGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S2/c1-2(3(9)10)11-5-8-7-4(6)12-5/h2H,1H3,(H2,6,7)(H,9,10).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 45134919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).