3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole

C14H16N2O2S — CID 133424742

IUPAC3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole
SMILESCOCCc1ccc(Oc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C14H16N2O2S/c1-17-9-8-10-2-6-12(7-3-10)18-14-15-13(16-19-14)11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyVDWCHOCQORYWNY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.40
Rot. Bonds6

About 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole (PubChem CID 133424742) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole
PubChem CID133424742
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole
SMILESCOCCc1ccc(Oc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C14H16N2O2S/c1-17-9-8-10-2-6-12(7-3-10)18-14-15-13(16-19-14)11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyVDWCHOCQORYWNY-UHFFFAOYSA-N
XLogP3.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
CID 65273837
N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80624253
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 107672607
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273727
methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate
CID 154841935
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
CID 65273584
2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol
CID 104952806
2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
CID 65274967
4-chloro-2-[4-(2-methoxyethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
CID 80693618
3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335358
5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 65272231
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 133427747

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole (CID 133424742) is 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole is COCCc1ccc(Oc2nc(C3CC3)ns2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole?
The InChIKey is VDWCHOCQORYWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-9-8-10-2-6-12(7-3-10)18-14-15-13(16-19-14)11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole has a molecular weight of 276.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole is sourced from PubChem (CID 133424742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).