2-(1-fluorocyclopropyl)-1,3,4-thiadiazole

C5H5FN2S — CID 153457648

IUPAC2-(1-fluorocyclopropyl)-1,3,4-thiadiazole
SMILESFC1(c2nncs2)CC1
InChIInChI=1S/C5H5FN2S/c6-5(1-2-5)4-8-7-3-9-4/h3H,1-2H2
InChIKeyOWMSWOKSBGDDEL-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.50
Rot. Bonds1

About 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole

2-(1-fluorocyclopropyl)-1,3,4-thiadiazole (PubChem CID 153457648) has the molecular formula C5H5FN2S and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-1,3,4-thiadiazole
PubChem CID153457648
Molecular FormulaC5H5FN2S
Molecular Weight144.17 g/mol
Exact Mass144.02
IUPAC Name2-(1-fluorocyclopropyl)-1,3,4-thiadiazole
SMILESFC1(c2nncs2)CC1
InChIInChI=1S/C5H5FN2S/c6-5(1-2-5)4-8-7-3-9-4/h3H,1-2H2
InChIKeyOWMSWOKSBGDDEL-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluoropropyl)-1,3,4-thiadiazole
CID 66881322
2-(2-Fluoroethyl)-1,3,4-thiadiazole
CID 66881991
2-[1-(Trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
CID 91560384
2-Cyclopropyl-1,3,4-thiadiazole
CID 53713544
2-(1-Methylcyclopropyl)-1,3,4-thiadiazole
CID 69090564
N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine
CID 90378812
2-(1-Methylsulfanylcyclopropyl)-1,3,4-thiadiazole
CID 139525081
1-(1,3,4-Thiadiazol-2-yl)cyclopropane-1-thiol
CID 139525509
2-(1-Chlorocyclopropyl)-1,3,4-thiadiazole
CID 153457638

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole (CID 153457648) is 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole is FC1(c2nncs2)CC1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
The InChIKey is OWMSWOKSBGDDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2S/c6-5(1-2-5)4-8-7-3-9-4/h3H,1-2H2.
What are the key properties of 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
2-(1-fluorocyclopropyl)-1,3,4-thiadiazole has a molecular weight of 144.17 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 153457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).