4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine

C14H19N3O2S — CID 62195666

IUPAC4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1ccc(C)cc1OC
InChIInChI=1S/C14H19N3O2S/c1-4-7-15-14-11(16-17-20-14)9-19-12-6-5-10(2)8-13(12)18-3/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyCYVQLCGSRPGMBE-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.26
Rot. Bonds7

About 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine

4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine (PubChem CID 62195666) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
PubChem CID62195666
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1ccc(C)cc1OC
InChIInChI=1S/C14H19N3O2S/c1-4-7-15-14-11(16-17-20-14)9-19-12-6-5-10(2)8-13(12)18-3/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyCYVQLCGSRPGMBE-UHFFFAOYSA-N
XLogP3.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-fluoro-2-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 102984989
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide
CID 62195489
N-propyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]thiadiazol-5-amine
CID 103290199
[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62246934
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
4-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylthiadiazol-5-amine
CID 62193786
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188803
N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62189051
4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
CID 65125240
5-[(2-chloro-4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614131

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine (CID 62195666) is 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1COc1ccc(C)cc1OC.
What is the InChIKey of 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is CYVQLCGSRPGMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-7-15-14-11(16-17-20-14)9-19-12-6-5-10(2)8-13(12)18-3/h5-6,8,15H,4,7,9H2,1-3H3.
What are the key properties of 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine?
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 293.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62195666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).