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

C11H13N3OS — CID 102902817

IUPAC2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
SMILESCc1nsc(OCCc2ccccc2N)n1
InChIInChI=1S/C11H13N3OS/c1-8-13-11(16-14-8)15-7-6-9-4-2-3-5-10(9)12/h2-5H,6-7,12H2,1H3
InChIKeyCQQIAANTBTZXOT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.05
Rot. Bonds4

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

2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline (PubChem CID 102902817) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
PubChem CID102902817
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
SMILESCc1nsc(OCCc2ccccc2N)n1
InChIInChI=1S/C11H13N3OS/c1-8-13-11(16-14-8)15-7-6-9-4-2-3-5-10(9)12/h2-5H,6-7,12H2,1H3
InChIKeyCQQIAANTBTZXOT-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.05
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

2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
CID 102902940
2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
CID 102902759
2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline
CID 103204598
2-(2-ethoxyethyl)aniline
CID 14619442
2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline
CID 102902966
2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63649319
2-(2-pyrido[2,3-b]pyrazin-6-yloxyethyl)aniline
CID 102902912
2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]aniline
CID 102902975
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
CID 82478565
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82472251

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline?
The IUPAC name of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline (CID 102902817) is 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline is Cc1nsc(OCCc2ccccc2N)n1.
What is the InChIKey of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline?
The InChIKey is CQQIAANTBTZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-13-11(16-14-8)15-7-6-9-4-2-3-5-10(9)12/h2-5H,6-7,12H2,1H3.
What are the key properties of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline?
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline has a molecular weight of 235.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline is sourced from PubChem (CID 102902817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).