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

C11H11N3OS — CID 65273727

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESNc1cccc(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H11N3OS/c12-8-2-1-3-9(6-8)15-11-13-10(14-16-11)7-4-5-7/h1-3,6-7H,4-5,12H2
InChIKeyYCSSPVRXBFAEHP-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.79
Rot. Bonds3

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline (PubChem CID 65273727) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
PubChem CID65273727
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
SMILESNc1cccc(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H11N3OS/c12-8-2-1-3-9(6-8)15-11-13-10(14-16-11)7-4-5-7/h1-3,6-7H,4-5,12H2
InChIKeyYCSSPVRXBFAEHP-UHFFFAOYSA-N
XLogP2.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103011754
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
CID 65273837
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 107672607
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
CID 65274190
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-cyclopropyl-1,2,4-thiadiazole
CID 102714068
5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 65272231
5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]pyridine-3-carboxamide
CID 86783734
3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole
CID 133424742
3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
CID 133425354
3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole
CID 133424386
5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
CID 103483696
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline (CID 65273727) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline is Nc1cccc(Oc2nc(C3CC3)ns2)c1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
The InChIKey is YCSSPVRXBFAEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-8-2-1-3-9(6-8)15-11-13-10(14-16-11)7-4-5-7/h1-3,6-7H,4-5,12H2.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline has a molecular weight of 233.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline is sourced from PubChem (CID 65273727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).