3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine

C14H17N3OS — CID 65276950

IUPAC3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cccc(OCCNc2nc(C3CC3)ns2)c1
InChIInChI=1S/C14H17N3OS/c1-10-3-2-4-12(9-10)18-8-7-15-14-16-13(17-19-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,15,16,17)
InChIKeyIVMZJJXRAKAMBX-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.21
Rot. Bonds6

About 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65276950) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65276950
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cccc(OCCNc2nc(C3CC3)ns2)c1
InChIInChI=1S/C14H17N3OS/c1-10-3-2-4-12(9-10)18-8-7-15-14-16-13(17-19-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,15,16,17)
InChIKeyIVMZJJXRAKAMBX-UHFFFAOYSA-N
XLogP3.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.21
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

5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 64914980
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
5-[2-(3-methylphenoxy)ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 55017617
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
5-N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360203
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 65276950) is 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine is Cc1cccc(OCCNc2nc(C3CC3)ns2)c1.
What is the InChIKey of 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IVMZJJXRAKAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-3-2-4-12(9-10)18-8-7-15-14-16-13(17-19-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,15,16,17).
What are the key properties of 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 275.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).