2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole

C9H7FN2OS — CID 130052506

IUPAC2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1c(F)cccc1-c1nncs1
InChIInChI=1S/C9H7FN2OS/c1-13-8-6(3-2-4-7(8)10)9-12-11-5-14-9/h2-5H,1H3
InChIKeySGBCOTURTPUVQO-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.35
Rot. Bonds2

About 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole

2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole (PubChem CID 130052506) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
PubChem CID130052506
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1c(F)cccc1-c1nncs1
InChIInChI=1S/C9H7FN2OS/c1-13-8-6(3-2-4-7(8)10)9-12-11-5-14-9/h2-5H,1H3
InChIKeySGBCOTURTPUVQO-UHFFFAOYSA-N
XLogP2.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole (CID 130052506) is 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole is COc1c(F)cccc1-c1nncs1.
What is the InChIKey of 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is SGBCOTURTPUVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c1-13-8-6(3-2-4-7(8)10)9-12-11-5-14-9/h2-5H,1H3.
What are the key properties of 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole?
2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 210.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).