2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole

C7H3ClFN3S2 — CID 79733730

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESFc1cc(Cl)cnc1Sc1nncs1
InChIInChI=1S/C7H3ClFN3S2/c8-4-1-5(9)6(10-2-4)14-7-12-11-3-13-7/h1-3H
InChIKeyLWPQIUOQODGBMC-UHFFFAOYSA-N
MW247.71 g/mol
LogP2.88
Rot. Bonds2

About 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (PubChem CID 79733730) has the molecular formula C7H3ClFN3S2 and a molecular weight of 247.71 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
PubChem CID79733730
Molecular FormulaC7H3ClFN3S2
Molecular Weight247.71 g/mol
Exact Mass246.94
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESFc1cc(Cl)cnc1Sc1nncs1
InChIInChI=1S/C7H3ClFN3S2/c8-4-1-5(9)6(10-2-4)14-7-12-11-3-13-7/h1-3H
InChIKeyLWPQIUOQODGBMC-UHFFFAOYSA-N
XLogP2.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (CID 79733730) is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is Fc1cc(Cl)cnc1Sc1nncs1.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The InChIKey is LWPQIUOQODGBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3S2/c8-4-1-5(9)6(10-2-4)14-7-12-11-3-13-7/h1-3H.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole has a molecular weight of 247.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 79733730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).