2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole

C8H6FN3S2 — CID 61229579

IUPAC2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2cccc(F)n2)s1
InChIInChI=1S/C8H6FN3S2/c1-5-11-12-8(13-5)14-7-4-2-3-6(9)10-7/h2-4H,1H3
InChIKeyIBXGWAFXUVISRB-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.53
Rot. Bonds2

About 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 61229579) has the molecular formula C8H6FN3S2 and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID61229579
Molecular FormulaC8H6FN3S2
Molecular Weight227.29 g/mol
Exact Mass227.00
IUPAC Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2cccc(F)n2)s1
InChIInChI=1S/C8H6FN3S2/c1-5-11-12-8(13-5)14-7-4-2-3-6(9)10-7/h2-4H,1H3
InChIKeyIBXGWAFXUVISRB-UHFFFAOYSA-N
XLogP2.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole (CID 61229579) is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(Sc2cccc(F)n2)s1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is IBXGWAFXUVISRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S2/c1-5-11-12-8(13-5)14-7-4-2-3-6(9)10-7/h2-4H,1H3.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 227.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 61229579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).