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

C16H14N2OS — CID 7148555

IUPAC3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
SMILESCOc1cccc(-c2csc(-c3cccc(N)c3)n2)c1
InChIInChI=1S/C16H14N2OS/c1-19-14-7-3-4-11(9-14)15-10-20-16(18-15)12-5-2-6-13(17)8-12/h2-10H,17H2,1H3
InChIKeyRWYMGPVYWMKGTQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.07
Rot. Bonds3

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

3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 7148555) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
PubChem CID7148555
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
SMILESCOc1cccc(-c2csc(-c3cccc(N)c3)n2)c1
InChIInChI=1S/C16H14N2OS/c1-19-14-7-3-4-11(9-14)15-10-20-16(18-15)12-5-2-6-13(17)8-12/h2-10H,17H2,1H3
InChIKeyRWYMGPVYWMKGTQ-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline
CID 103374862
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine
CID 56829048
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000
4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 18270223
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667919
2-[3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168609712
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline (CID 7148555) is 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline is COc1cccc(-c2csc(-c3cccc(N)c3)n2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is RWYMGPVYWMKGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-14-7-3-4-11(9-14)15-10-20-16(18-15)12-5-2-6-13(17)8-12/h2-10H,17H2,1H3.
What are the key properties of 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline?
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 282.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 7148555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).