2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone

C14H15FN2O2S — CID 105085996

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-3-4-11-14(20-17-16-11)12(18)8-9-5-6-13(19-2)10(15)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyCCLWWQVUDJOWCP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 105085996) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID105085996
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-3-4-11-14(20-17-16-11)12(18)8-9-5-6-13(19-2)10(15)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyCCLWWQVUDJOWCP-UHFFFAOYSA-N
XLogP3.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 105085996) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is CCLWWQVUDJOWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-3-4-11-14(20-17-16-11)12(18)8-9-5-6-13(19-2)10(15)7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105085996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).