3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine

C11H13N3OS — CID 65267869

IUPAC3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOc2ccccc2)n1
InChIInChI=1S/C11H13N3OS/c1-9-13-11(16-14-9)12-7-8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyMIQWTBZALPPKIE-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.34
Rot. Bonds5

About 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267869) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267869
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOc2ccccc2)n1
InChIInChI=1S/C11H13N3OS/c1-9-13-11(16-14-9)12-7-8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyMIQWTBZALPPKIE-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65276950
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103952476
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47164504
5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
CID 103360202
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267869) is 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCOc2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MIQWTBZALPPKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-9-13-11(16-14-9)12-7-8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 235.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).