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

C6H7FN2S — CID 135170673

IUPAC2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2(F)CC2)s1
InChIInChI=1S/C6H7FN2S/c1-4-8-9-5(10-4)6(7)2-3-6/h2-3H2,1H3
InChIKeyVQWWOVDHPSMYQV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.81
Rot. Bonds1

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

2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 135170673) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole
PubChem CID135170673
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C2(F)CC2)s1
InChIInChI=1S/C6H7FN2S/c1-4-8-9-5(10-4)6(7)2-3-6/h2-3H2,1H3
InChIKeyVQWWOVDHPSMYQV-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

Analyze 2-(1-fluorocyclopropyl)-5-methyl-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-Propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20605525
2-Fluoro-5-propan-2-yl-1,3,4-thiadiazole
CID 59664270
2-Ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59964275
2-Ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
CID 89030372
2-(1,1-Difluoroethyl)-5-methyl-1,3,4-thiadiazole
CID 89890720
2-Butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 145124517
2-(Difluoromethyl)-5-ethyl-1,3,4-thiadiazole
CID 155399868
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-Tert-butyl-5-(difluoromethyl)-1,3,4-thiadiazole
CID 169031958
2-(1-Fluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 170195634
2-Bromo-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole
CID 176141360

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole (CID 135170673) is 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(C2(F)CC2)s1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is VQWWOVDHPSMYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c1-4-8-9-5(10-4)6(7)2-3-6/h2-3H2,1H3.
What are the key properties of 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole?
2-(1-fluorocyclopropyl)-5-methyl-1,3,4-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 2-(1-fluorocyclopropyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 135170673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).