2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole

C7H9FN2S — CID 177049637

IUPAC2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole
SMILESCCc1nnc(C2(F)CC2)s1
InChIInChI=1S/C7H9FN2S/c1-2-5-9-10-6(11-5)7(8)3-4-7/h2-4H2,1H3
InChIKeyXMJRIGRWSGEMQC-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.06
Rot. Bonds2

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

2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole (PubChem CID 177049637) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole
PubChem CID177049637
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole
SMILESCCc1nnc(C2(F)CC2)s1
InChIInChI=1S/C7H9FN2S/c1-2-5-9-10-6(11-5)7(8)3-4-7/h2-4H2,1H3
InChIKeyXMJRIGRWSGEMQC-UHFFFAOYSA-N
XLogP2.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(1-Fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 70413398
2-(3-Fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 70413401
2-Ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
CID 89030372
2-(1-Fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole
CID 135170673
2-Butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 139526460
2-Butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 145124517
2-Tert-butyl-5-fluoro-1,3,4-thiadiazole
CID 146378316
Ethane;2-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 159298743

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole (CID 177049637) is 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole is CCc1nnc(C2(F)CC2)s1.
What is the InChIKey of 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
The InChIKey is XMJRIGRWSGEMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2S/c1-2-5-9-10-6(11-5)7(8)3-4-7/h2-4H2,1H3.
What are the key properties of 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole?
2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole has a molecular weight of 172.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 177049637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).