3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole

C10H8F2N2OS — CID 20595456

IUPAC3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(-c2cccc(OC(F)F)c2)ns1
InChIInChI=1S/C10H8F2N2OS/c1-6-13-9(14-16-6)7-3-2-4-8(5-7)15-10(11)12/h2-5,10H,1H3
InChIKeySREHGXUPTRQIDG-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.11
Rot. Bonds3

About 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole

3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole (PubChem CID 20595456) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
PubChem CID20595456
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(-c2cccc(OC(F)F)c2)ns1
InChIInChI=1S/C10H8F2N2OS/c1-6-13-9(14-16-6)7-3-2-4-8(5-7)15-10(11)12/h2-5,10H,1H3
InChIKeySREHGXUPTRQIDG-UHFFFAOYSA-N
XLogP3.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole
CID 56837846
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
N-tert-butyl-1-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]methanimine oxide
CID 25132880
5-[4-[[3-(Trifluoromethyl)phenoxy]methyl]phenyl]-1,2,4-thiadiazole
CID 2739733
3-(3-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556066
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930
5-(4-Methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole
CID 2810751
5-(3,4-Dimethoxyphenyl)-1,2,4-thiadiazol-3-amine
CID 46741378
5-Phenoxy-3-phenyl-1,2,4-thiadiazole
CID 86254361
5-(4'-Methoxy)phenyl-1,2,4-thiadiazole
CID 141407651
3-(3-Phenoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556136
3,3,3-trifluoro-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 53613183

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole (CID 20595456) is 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole is Cc1nc(-c2cccc(OC(F)F)c2)ns1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
The InChIKey is SREHGXUPTRQIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c1-6-13-9(14-16-6)7-3-2-4-8(5-7)15-10(11)12/h2-5,10H,1H3.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole?
3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole has a molecular weight of 242.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 20595456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).