2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline

C12H13N3O2S — CID 65273837

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
SMILESCOc1ccc(Oc2nc(C3CC3)ns2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-16-8-4-5-10(9(13)6-8)17-12-14-11(15-18-12)7-2-3-7/h4-7H,2-3,13H2,1H3
InChIKeyLKRLOVMOUFNGBV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.80
Rot. Bonds4

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline (PubChem CID 65273837) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
PubChem CID65273837
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
SMILESCOc1ccc(Oc2nc(C3CC3)ns2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-16-8-4-5-10(9(13)6-8)17-12-14-11(15-18-12)7-2-3-7/h4-7H,2-3,13H2,1H3
InChIKeyLKRLOVMOUFNGBV-UHFFFAOYSA-N
XLogP2.80
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
CID 65274190
5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483696
4-bromo-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103011754
5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43364015
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273727
3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
CID 133425354
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-methoxyaniline
CID 65168671
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
CID 102714068
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]-4-methylbenzoic acid
CID 65275406
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 107672607

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline (CID 65273837) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline is COc1ccc(Oc2nc(C3CC3)ns2)c(N)c1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline?
The InChIKey is LKRLOVMOUFNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-16-8-4-5-10(9(13)6-8)17-12-14-11(15-18-12)7-2-3-7/h4-7H,2-3,13H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline has a molecular weight of 263.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline is sourced from PubChem (CID 65273837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).