2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole

C7H11FN2S — CID 170195634

IUPAC2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C(C)F)s1
InChIInChI=1S/C7H11FN2S/c1-4(2)6-9-10-7(11-6)5(3)8/h4-5H,1-3H3
InChIKeyVORHNQIGPDPUCL-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.69
Rot. Bonds2

About 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole

2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 170195634) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID170195634
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C(C)F)s1
InChIInChI=1S/C7H11FN2S/c1-4(2)6-9-10-7(11-6)5(3)8/h4-5H,1-3H3
InChIKeyVORHNQIGPDPUCL-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Chloromethyl)-5-(propan-2-yl)-1,3,4-thiadiazole
CID 23462299
2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2,5-Diethyl-1,3,4-thiadiazole
CID 6451667
2-Propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20605525
2-Fluoro-5-propan-2-yl-1,3,4-thiadiazole
CID 59664270
2-Tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59734410
2-Ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59964275
2-Pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70672393
2-Ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
CID 89030372
2-(Fluoromethyl)-5-methyl-1,3,4-thiadiazole
CID 89222789
2-(1,1-Difluoroethyl)-5-methyl-1,3,4-thiadiazole
CID 89890720
2-(1-Fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole
CID 135170673

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole (CID 170195634) is 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(C(C)F)s1.
What is the InChIKey of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is VORHNQIGPDPUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-4(2)6-9-10-7(11-6)5(3)8/h4-5H,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 174.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 170195634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).