3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole

C5H6F2N2OS — CID 148542726

IUPAC3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole
SMILESCOC(F)(F)c1nsc(C)n1
InChIInChI=1S/C5H6F2N2OS/c1-3-8-4(9-11-3)5(6,7)10-2/h1-2H3
InChIKeyMSMNCWOXJHVOSK-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.54
Rot. Bonds2

About 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole

3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole (PubChem CID 148542726) has the molecular formula C5H6F2N2OS and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole
PubChem CID148542726
Molecular FormulaC5H6F2N2OS
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Name3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole
SMILESCOC(F)(F)c1nsc(C)n1
InChIInChI=1S/C5H6F2N2OS/c1-3-8-4(9-11-3)5(6,7)10-2/h1-2H3
InChIKeyMSMNCWOXJHVOSK-UHFFFAOYSA-N
XLogP1.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-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

5-(Bromomethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
CID 165942116
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
CID 83959827
3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103473439
5-Chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476977
5-Bromo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476979
5-Iodo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476981
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
3-(Methoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 142566137
5-(Methoxymethyl)-3-methyl-1,2,4-thiadiazole
CID 142566183
Ethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669131
Methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669133
[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]methanol
CID 165914211

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole (CID 148542726) is 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole is COC(F)(F)c1nsc(C)n1.
What is the InChIKey of 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole?
The InChIKey is MSMNCWOXJHVOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2OS/c1-3-8-4(9-11-3)5(6,7)10-2/h1-2H3.
What are the key properties of 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole?
3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole has a molecular weight of 180.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 148542726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).