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

C4H3F3N2S — CID 19426259

IUPAC2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S/c1-2-8-9-3(10-2)4(5,6)7/h1H3
InChIKeyAMOWZMFGYUOXOU-UHFFFAOYSA-N
MW168.14 g/mol
LogP1.87
Rot. Bonds

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

2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 19426259) has the molecular formula C4H3F3N2S and a molecular weight of 168.14 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID19426259
Molecular FormulaC4H3F3N2S
Molecular Weight168.14 g/mol
Exact Mass168.00
IUPAC Name2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S/c1-2-8-9-3(10-2)4(5,6)7/h1H3
InChIKeyAMOWZMFGYUOXOU-UHFFFAOYSA-N
XLogP1.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 19426259) is 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is Cc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is AMOWZMFGYUOXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S/c1-2-8-9-3(10-2)4(5,6)7/h1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 168.14 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 19426259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).