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

C6H7FN2S — CID 135170509

IUPAC3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(C2(F)CC2)ns1
InChIInChI=1S/C6H7FN2S/c1-4-8-5(9-10-4)6(7)2-3-6/h2-3H2,1H3
InChIKeyDZQOKZVERUFVEH-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.81
Rot. Bonds1

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

3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole (PubChem CID 135170509) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole
PubChem CID135170509
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(C2(F)CC2)ns1
InChIInChI=1S/C6H7FN2S/c1-4-8-5(9-10-4)6(7)2-3-6/h2-3H2,1H3
InChIKeyDZQOKZVERUFVEH-UHFFFAOYSA-N
XLogP1.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopropyl-1,2,4-thiadiazol-3-amine
CID 64538822
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669
3-Cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91155524
3-Propyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91804931
3-Ethyl-5-fluoro-1,2,4-thiadiazole
CID 123276911
5-Methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
CID 135170702
5-Methyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 135170703
5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
5-(2-Fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
CID 131198196

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole (CID 135170509) is 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole is Cc1nc(C2(F)CC2)ns1.
What is the InChIKey of 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole?
The InChIKey is DZQOKZVERUFVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c1-4-8-5(9-10-4)6(7)2-3-6/h2-3H2,1H3.
What are the key properties of 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole?
3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole has a molecular weight of 158.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 135170509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).