4-oxo-4-(thiadiazol-5-ylamino)butanoic acid

C6H7N3O3S — CID 82671120

IUPAC4-oxo-4-(thiadiazol-5-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cnns1
InChIInChI=1S/C6H7N3O3S/c10-4(1-2-6(11)12)8-5-3-7-9-13-5/h3H,1-2H2,(H,8,10)(H,11,12)
InChIKeyHUPSBVHURLSFAY-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.34
Rot. Bonds4

About 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid

4-oxo-4-(thiadiazol-5-ylamino)butanoic acid (PubChem CID 82671120) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(thiadiazol-5-ylamino)butanoic acid
PubChem CID82671120
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name4-oxo-4-(thiadiazol-5-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cnns1
InChIInChI=1S/C6H7N3O3S/c10-4(1-2-6(11)12)8-5-3-7-9-13-5/h3H,1-2H2,(H,8,10)(H,11,12)
InChIKeyHUPSBVHURLSFAY-UHFFFAOYSA-N
XLogP0.34
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid (CID 82671120) is 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid is O=C(O)CCC(=O)Nc1cnns1.
What is the InChIKey of 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid?
The InChIKey is HUPSBVHURLSFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c10-4(1-2-6(11)12)8-5-3-7-9-13-5/h3H,1-2H2,(H,8,10)(H,11,12).
What are the key properties of 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid?
4-oxo-4-(thiadiazol-5-ylamino)butanoic acid has a molecular weight of 201.21 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(thiadiazol-5-ylamino)butanoic acid is sourced from PubChem (CID 82671120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).