4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid

C10H15N3O2S — CID 65272940

IUPAC4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)c1nc(C2CC2)ns1
InChIInChI=1S/C10H15N3O2S/c1-13(6-2-3-8(14)15)10-11-9(12-16-10)7-4-5-7/h7H,2-6H2,1H3,(H,14,15)
InChIKeyZPNBKPZTMTVHBV-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.72
Rot. Bonds6

About 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid

4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid (PubChem CID 65272940) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
PubChem CID65272940
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)c1nc(C2CC2)ns1
InChIInChI=1S/C10H15N3O2S/c1-13(6-2-3-8(14)15)10-11-9(12-16-10)7-4-5-7/h7H,2-6H2,1H3,(H,14,15)
InChIKeyZPNBKPZTMTVHBV-UHFFFAOYSA-N
XLogP1.72
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid (CID 65272940) is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid is CN(CCCC(=O)O)c1nc(C2CC2)ns1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid?
The InChIKey is ZPNBKPZTMTVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13(6-2-3-8(14)15)10-11-9(12-16-10)7-4-5-7/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid?
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid has a molecular weight of 241.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid is sourced from PubChem (CID 65272940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).