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

C12H15N3OS — CID 64914980

IUPAC5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(OCCNc2nnc(C)s2)c1
InChIInChI=1S/C12H15N3OS/c1-9-4-3-5-11(8-9)16-7-6-13-12-15-14-10(2)17-12/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyMTPNGFMWTGYJOJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.65
Rot. Bonds5

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

5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64914980) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64914980
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(OCCNc2nnc(C)s2)c1
InChIInChI=1S/C12H15N3OS/c1-9-4-3-5-11(8-9)16-7-6-13-12-15-14-10(2)17-12/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyMTPNGFMWTGYJOJ-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.65
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-[2-(3-methylphenoxy)ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 55017617
N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208328
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
CID 62482638
N-[2-(3-methylphenoxy)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51184240
3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65276950
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
5-[2-(3-methylphenoxy)ethylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 7797206
3-[2-(3-methylphenoxy)ethylamino]pyrazine-2-carbothioamide
CID 62683112

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine (CID 64914980) is 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine is Cc1cccc(OCCNc2nnc(C)s2)c1.
What is the InChIKey of 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MTPNGFMWTGYJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-4-3-5-11(8-9)16-7-6-13-12-15-14-10(2)17-12/h3-5,8H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64914980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).