3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid

C7H10N4O3S — CID 61192255

IUPAC3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-4(2-5(12)13)9-6(14)10-7-11-8-3-15-7/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyMOOCSTFGZAIYGT-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.52
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid

3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid (PubChem CID 61192255) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
PubChem CID61192255
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)Nc1nncs1
InChIInChI=1S/C7H10N4O3S/c1-4(2-5(12)13)9-6(14)10-7-11-8-3-15-7/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyMOOCSTFGZAIYGT-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 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid (CID 61192255) is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid is CC(CC(=O)O)NC(=O)Nc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid?
The InChIKey is MOOCSTFGZAIYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-4(2-5(12)13)9-6(14)10-7-11-8-3-15-7/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid?
3-(1,3,4-thiadiazol-2-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 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61192255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).