3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole

C11H8F2N2OS — CID 133425354

IUPAC3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
SMILESFc1ccc(Oc2nc(C3CC3)ns2)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyXOYRNEMAWMTELS-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.49
Rot. Bonds3

About 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole

3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole (PubChem CID 133425354) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
PubChem CID133425354
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC Name3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
SMILESFc1ccc(Oc2nc(C3CC3)ns2)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyXOYRNEMAWMTELS-UHFFFAOYSA-N
XLogP3.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
CID 65274190
3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole
CID 133424386
5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 65272231
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
CID 65273837
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65274619
4-bromo-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103011754
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
CID 102714068
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 82830819
4-bromo-2-(2,4-difluorophenoxy)-1,3-thiazole
CID 79399592
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273727
5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-nitrobenzoic acid
CID 107078084

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole (CID 133425354) is 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole is Fc1ccc(Oc2nc(C3CC3)ns2)c(F)c1.
What is the InChIKey of 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole?
The InChIKey is XOYRNEMAWMTELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole?
3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole has a molecular weight of 254.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 133425354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).