5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine

C20H22N2O2S — CID 28857046

IUPAC5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(OCCCOc2ccc(-c3nc(N)sc3C)cc2)c1
InChIInChI=1S/C20H22N2O2S/c1-14-5-3-6-18(13-14)24-12-4-11-23-17-9-7-16(8-10-17)19-15(2)25-20(21)22-19/h3,5-10,13H,4,11-12H2,1-2H3,(H2,21,22)
InChIKeyPAQMMVXQPXVXEJ-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.86
Rot. Bonds7

About 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine

5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine (PubChem CID 28857046) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine
PubChem CID28857046
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(OCCCOc2ccc(-c3nc(N)sc3C)cc2)c1
InChIInChI=1S/C20H22N2O2S/c1-14-5-3-6-18(13-14)24-12-4-11-23-17-9-7-16(8-10-17)19-15(2)25-20(21)22-19/h3,5-10,13H,4,11-12H2,1-2H3,(H2,21,22)
InChIKeyPAQMMVXQPXVXEJ-UHFFFAOYSA-N
XLogP4.86
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.86
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

ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
CID 43250574
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
ethyl 3-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856993
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28856761

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine (CID 28857046) is 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine is Cc1cccc(OCCCOc2ccc(-c3nc(N)sc3C)cc2)c1.
What is the InChIKey of 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine?
The InChIKey is PAQMMVXQPXVXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-5-3-6-18(13-14)24-12-4-11-23-17-9-7-16(8-10-17)19-15(2)25-20(21)22-19/h3,5-10,13H,4,11-12H2,1-2H3,(H2,21,22).
What are the key properties of 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine?
5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine has a molecular weight of 354.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28857046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).