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

C8H11FN2S — CID 177049696

IUPAC2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2(F)CC2)s1
InChIInChI=1S/C8H11FN2S/c1-5(2)6-10-11-7(12-6)8(9)3-4-8/h5H,3-4H2,1-2H3
InChIKeyUQNZGFUSJWFAIX-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.62
Rot. Bonds2

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

2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 177049696) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID177049696
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(C2(F)CC2)s1
InChIInChI=1S/C8H11FN2S/c1-5(2)6-10-11-7(12-6)8(9)3-4-8/h5H,3-4H2,1-2H3
InChIKeyUQNZGFUSJWFAIX-UHFFFAOYSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
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-Pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70672393
2-(1-Fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole
CID 135170673
2-Butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 145124517
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 159394232
2-(Difluoromethyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 166087951
2-(1-Fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 170195634
Ethane;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 176993574
2-[1-(Difluoromethyl)cyclopropyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 177049177
2-Ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole
CID 177049637

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole (CID 177049696) is 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(C2(F)CC2)s1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is UQNZGFUSJWFAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c1-5(2)6-10-11-7(12-6)8(9)3-4-8/h5H,3-4H2,1-2H3.
What are the key properties of 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 186.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 177049696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).