3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline

C19H20N2OS — CID 82154267

IUPAC3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline
SMILESCc1ccccc1OCCCc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C19H20N2OS/c1-14-6-2-3-9-18(14)22-11-5-10-19-21-17(13-23-19)15-7-4-8-16(20)12-15/h2-4,6-9,12-13H,5,10-11,20H2,1H3
InChIKeyRMMORIRJWNIBKS-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.71
Rot. Bonds6

About 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline

3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline (PubChem CID 82154267) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline
PubChem CID82154267
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline
SMILESCc1ccccc1OCCCc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C19H20N2OS/c1-14-6-2-3-9-18(14)22-11-5-10-19-21-17(13-23-19)15-7-4-8-16(20)12-15/h2-4,6-9,12-13H,5,10-11,20H2,1H3
InChIKeyRMMORIRJWNIBKS-UHFFFAOYSA-N
XLogP4.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]aniline
CID 94760676
4-[3-[4-(2-methylphenoxy)butoxy]phenyl]-1,3-thiazol-2-amine
CID 28857491
3-[2-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 94760682
3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308455
3-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propoxy]aniline
CID 94778254
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
2-[3-[4-(3-aminophenyl)-1,3-thiazol-2-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163674307
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
3-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]aniline
CID 62474009
3-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163148
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
CID 86845405

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline?
The IUPAC name of 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline (CID 82154267) is 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline is Cc1ccccc1OCCCc1nc(-c2cccc(N)c2)cs1.
What is the InChIKey of 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline?
The InChIKey is RMMORIRJWNIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14-6-2-3-9-18(14)22-11-5-10-19-21-17(13-23-19)15-7-4-8-16(20)12-15/h2-4,6-9,12-13H,5,10-11,20H2,1H3.
What are the key properties of 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline?
3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline has a molecular weight of 324.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 82154267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).