5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid

C13H18N4O3S — CID 65207910

IUPAC5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESCC(C)(C)c1nnsc1-c1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C13H18N4O3S/c1-13(2,3)11-10(21-17-15-11)12-16-14-8(20-12)6-4-5-7-9(18)19/h4-7H2,1-3H3,(H,18,19)
InChIKeyFWKDCORQGHNCJB-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.68
Rot. Bonds6

About 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid

5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid (PubChem CID 65207910) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
PubChem CID65207910
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
SMILESCC(C)(C)c1nnsc1-c1nnc(CCCCC(=O)O)o1
InChIInChI=1S/C13H18N4O3S/c1-13(2,3)11-10(21-17-15-11)12-16-14-8(20-12)6-4-5-7-9(18)19/h4-7H2,1-3H3,(H,18,19)
InChIKeyFWKDCORQGHNCJB-UHFFFAOYSA-N
XLogP2.68
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 65204845
4-[5-(4-propylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 65207861
3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65207376
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
5-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 114822230
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 60911296
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The IUPAC name of 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid (CID 65207910) is 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The canonical SMILES for 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid is CC(C)(C)c1nnsc1-c1nnc(CCCCC(=O)O)o1.
What is the InChIKey of 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
The InChIKey is FWKDCORQGHNCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-13(2,3)11-10(21-17-15-11)12-16-14-8(20-12)6-4-5-7-9(18)19/h4-7H2,1-3H3,(H,18,19).
What are the key properties of 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid?
5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid has a molecular weight of 310.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid is sourced from PubChem (CID 65207910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).