4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

C11H14N4O3S — CID 65204845

IUPAC4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)c1nnsc1-c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C11H14N4O3S/c1-6(2)9-10(19-15-13-9)11-14-12-7(18-11)4-3-5-8(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyUGUZPMQLPPXRJF-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.12
Rot. Bonds6

About 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 65204845) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID65204845
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)c1nnsc1-c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C11H14N4O3S/c1-6(2)9-10(19-15-13-9)11-14-12-7(18-11)4-3-5-8(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyUGUZPMQLPPXRJF-UHFFFAOYSA-N
XLogP2.12
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 65207861
5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 65207910
4-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 104521010
5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 65204856
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912450
2-(1-chloroethyl)-5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazole
CID 65204654
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 65204845) is 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(C)c1nnsc1-c1nnc(CCCC(=O)O)o1.
What is the InChIKey of 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is UGUZPMQLPPXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-6(2)9-10(19-15-13-9)11-14-12-7(18-11)4-3-5-8(16)17/h6H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 282.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 65204845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).