2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole

C9H15FN2S — CID 157242747

IUPAC2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole
SMILESCC(F)c1nnc(CC(C)(C)C)s1
InChIInChI=1S/C9H15FN2S/c1-6(10)8-12-11-7(13-8)5-9(2,3)4/h6H,5H2,1-4H3
InChIKeyFNVPOKZEHNXDAA-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.16
Rot. Bonds2

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

2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole (PubChem CID 157242747) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole
PubChem CID157242747
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole
SMILESCC(F)c1nnc(CC(C)(C)C)s1
InChIInChI=1S/C9H15FN2S/c1-6(10)8-12-11-7(13-8)5-9(2,3)4/h6H,5H2,1-4H3
InChIKeyFNVPOKZEHNXDAA-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-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-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2,5-Di-tert-butyl-1,3,4-thiadiazole
CID 13448364
2-Tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59734410
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-Tert-butyl-5-fluoro-1,3,4-thiadiazole
CID 146378316
2-(2,2-Dimethylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 148420629
2-(Difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole
CID 155765582
2-Tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole
CID 169031958
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole (CID 157242747) is 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole is CC(F)c1nnc(CC(C)(C)C)s1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole?
The InChIKey is FNVPOKZEHNXDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-6(10)8-12-11-7(13-8)5-9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole?
2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole has a molecular weight of 202.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 157242747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).