2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

C8H6FN3S — CID 135397349

IUPAC2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cncc(F)c2)s1
InChIInChI=1S/C8H6FN3S/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyMDSLFGWAVXCNAF-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.05
Rot. Bonds1

About 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 135397349) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
PubChem CID135397349
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cncc(F)c2)s1
InChIInChI=1S/C8H6FN3S/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyMDSLFGWAVXCNAF-UHFFFAOYSA-N
XLogP2.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (CID 135397349) is 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2cncc(F)c2)s1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is MDSLFGWAVXCNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 195.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 135397349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).