2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole

C4H4F2N2S — CID 59049205

IUPAC2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2S/c1-2-7-8-4(9-2)3(5)6/h3H,1H3
InChIKeyWWEUYMBYKNXZJO-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.78
Rot. Bonds1

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

2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 59049205) has the molecular formula C4H4F2N2S and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole
PubChem CID59049205
Molecular FormulaC4H4F2N2S
Molecular Weight150.15 g/mol
Exact Mass150.01
IUPAC Name2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2S/c1-2-7-8-4(9-2)3(5)6/h3H,1H3
InChIKeyWWEUYMBYKNXZJO-UHFFFAOYSA-N
XLogP1.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole (CID 59049205) is 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is WWEUYMBYKNXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S/c1-2-7-8-4(9-2)3(5)6/h3H,1H3.
What are the key properties of 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole?
2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 150.15 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 59049205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).