(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone

C14H15FN2O2S — CID 103397286

IUPAC(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2snnc2C(C)(C)C)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-14(2,3)13-12(20-17-16-13)11(18)9-6-5-8(19-4)7-10(9)15/h5-7H,1-4H3
InChIKeyZWVRPDZDYWAZCW-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.21
Rot. Bonds3

About (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone

(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103397286) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103397286
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2snnc2C(C)(C)C)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-14(2,3)13-12(20-17-16-13)11(18)9-6-5-8(19-4)7-10(9)15/h5-7H,1-4H3
InChIKeyZWVRPDZDYWAZCW-UHFFFAOYSA-N
XLogP3.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 103397286) is (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2snnc2C(C)(C)C)c(F)c1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is ZWVRPDZDYWAZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-14(2,3)13-12(20-17-16-13)11(18)9-6-5-8(19-4)7-10(9)15/h5-7H,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103397286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).