3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole

C11H12FN3OS — CID 133494378

IUPAC3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(Oc2cccnc2F)n1
InChIInChI=1S/C11H12FN3OS/c1-11(2,3)9-14-10(17-15-9)16-7-5-4-6-13-8(7)12/h4-6H,1-3H3
InChIKeyAMMBHZFPMJSSGA-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.16
Rot. Bonds2

About 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole

3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole (PubChem CID 133494378) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole
PubChem CID133494378
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(Oc2cccnc2F)n1
InChIInChI=1S/C11H12FN3OS/c1-11(2,3)9-14-10(17-15-9)16-7-5-4-6-13-8(7)12/h4-6H,1-3H3
InChIKeyAMMBHZFPMJSSGA-UHFFFAOYSA-N
XLogP3.16
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]quinolin-5-amine
CID 65274127
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluorobenzoic acid
CID 107016611
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol
CID 65274814
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2,5-difluoroaniline
CID 65274424
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxybenzoic acid
CID 65275348
5-bromo-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483732
2-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 138743961
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline
CID 65273738
5-(3-bromo-4-fluorophenoxy)-3-tert-butyl-1,2,4-thiadiazole
CID 83231630
O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine
CID 79427145
4-[2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-6-methylphenyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 67634891
3-ethoxy-2-fluoropyridine
CID 11355527

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole (CID 133494378) is 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole is CC(C)(C)c1nsc(Oc2cccnc2F)n1.
What is the InChIKey of 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole?
The InChIKey is AMMBHZFPMJSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-11(2,3)9-14-10(17-15-9)16-7-5-4-6-13-8(7)12/h4-6H,1-3H3.
What are the key properties of 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole?
3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole has a molecular weight of 253.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,4-thiadiazole is sourced from PubChem (CID 133494378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).