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

C6H7F3N2S — CID 135170703

IUPAC5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
SMILESCc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2S/c1-4-10-5(11-12-4)2-3-6(7,8)9/h2-3H2,1H3
InChIKeyATZNQGJJSSYJCC-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.34
Rot. Bonds2

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

5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole (PubChem CID 135170703) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
PubChem CID135170703
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
SMILESCc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C6H7F3N2S/c1-4-10-5(11-12-4)2-3-6(7,8)9/h2-3H2,1H3
InChIKeyATZNQGJJSSYJCC-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-1,2,4-thiadiazole
CID 13028086
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-(Bromomethyl)-3-ethyl-1,2,4-thiadiazole
CID 165830947
3,5-Bis(2,2,3,3,4,4,5,5-octafluorobutyl)-1,2,4-thiadiazole
CID 12182312
5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
CID 59497977
CID 59497977
3-(3,3,3-Trifluoro-propyl)-[1,2,4]thiadiazol-5-ylamine
CID 66898934
5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669
3-Cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91155524

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole (CID 135170703) is 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole is Cc1nc(CCC(F)(F)F)ns1.
What is the InChIKey of 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The InChIKey is ATZNQGJJSSYJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-4-10-5(11-12-4)2-3-6(7,8)9/h2-3H2,1H3.
What are the key properties of 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole has a molecular weight of 196.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 135170703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).