2-(thiadiazol-5-ylcarbamoylamino)butanoic acid

C7H10N4O3S — CID 114913072

IUPAC2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C7H10N4O3S/c1-2-4(6(12)13)9-7(14)10-5-3-8-11-15-5/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,14)
InChIKeyMTWGICILQOUWQP-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.52
Rot. Bonds4

About 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid

2-(thiadiazol-5-ylcarbamoylamino)butanoic acid (PubChem CID 114913072) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
PubChem CID114913072
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C7H10N4O3S/c1-2-4(6(12)13)9-7(14)10-5-3-8-11-15-5/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,14)
InChIKeyMTWGICILQOUWQP-UHFFFAOYSA-N
XLogP0.52
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid (CID 114913072) is 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid is CCC(NC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
The InChIKey is MTWGICILQOUWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-2-4(6(12)13)9-7(14)10-5-3-8-11-15-5/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,14).
What are the key properties of 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
2-(thiadiazol-5-ylcarbamoylamino)butanoic acid has a molecular weight of 230.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-5-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 114913072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).