2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole

C10H8F2N2S — CID 22899585

IUPAC2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc(C)c(F)c2F)s1
InChIInChI=1S/C10H8F2N2S/c1-5-3-4-7(9(12)8(5)11)10-14-13-6(2)15-10/h3-4H,1-2H3
InChIKeyPUOIXPAQLMNQGS-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.10
Rot. Bonds1

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

2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 22899585) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole
PubChem CID22899585
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc(C)c(F)c2F)s1
InChIInChI=1S/C10H8F2N2S/c1-5-3-4-7(9(12)8(5)11)10-14-13-6(2)15-10/h3-4H,1-2H3
InChIKeyPUOIXPAQLMNQGS-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
5-[4-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 7479832
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
CID 12514511
2-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
(5-Phenyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride
CID 71756124

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole (CID 22899585) is 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2ccc(C)c(F)c2F)s1.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is PUOIXPAQLMNQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c1-5-3-4-7(9(12)8(5)11)10-14-13-6(2)15-10/h3-4H,1-2H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole?
2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 226.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 22899585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).