2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C8H10F3N3S — CID 127922038

IUPAC2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC1CCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-5-3-2-4-14(5)7-13-12-6(15-7)8(9,10)11/h5H,2-4H2,1H3
InChIKeyQCLJGQFJTSJYAV-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.55
Rot. Bonds1

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

2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 127922038) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID127922038
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC1CCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3N3S/c1-5-3-2-4-14(5)7-13-12-6(15-7)8(9,10)11/h5H,2-4H2,1H3
InChIKeyQCLJGQFJTSJYAV-UHFFFAOYSA-N
XLogP2.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 127922038) is 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is CC1CCCN1c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is QCLJGQFJTSJYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-5-3-2-4-14(5)7-13-12-6(15-7)8(9,10)11/h5H,2-4H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 237.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 127922038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).