methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate

C13H14N2O3S — CID 65274735

IUPACmethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate
SMILESCCCc1nsc(Oc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C13H14N2O3S/c1-3-4-11-14-13(19-15-11)18-10-7-5-9(6-8-10)12(16)17-2/h5-8H,3-4H2,1-2H3
InChIKeyAPOWYIBDQVXCRQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate

methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate (PubChem CID 65274735) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate
PubChem CID65274735
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate
SMILESCCCc1nsc(Oc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C13H14N2O3S/c1-3-4-11-14-13(19-15-11)18-10-7-5-9(6-8-10)12(16)17-2/h5-8H,3-4H2,1-2H3
InChIKeyAPOWYIBDQVXCRQ-UHFFFAOYSA-N
XLogP3.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid
CID 66436276
2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273845
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
methyl 4-(4-hydroxy-3-propylphenoxy)benzoate
CID 54381227
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
methyl 4-(2,1-benzothiazol-3-yloxy)benzoate
CID 66355321
4-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenoxy]benzonitrile
CID 133428811

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate?
The IUPAC name of methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate (CID 65274735) is methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate?
The canonical SMILES for methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate is CCCc1nsc(Oc2ccc(C(=O)OC)cc2)n1.
What is the InChIKey of methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate?
The InChIKey is APOWYIBDQVXCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-4-11-14-13(19-15-11)18-10-7-5-9(6-8-10)12(16)17-2/h5-8H,3-4H2,1-2H3.
What are the key properties of methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate?
methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate has a molecular weight of 278.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate is sourced from PubChem (CID 65274735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).