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

C16H14N2OS — CID 61268827

IUPAC2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
SMILESCOc1ccc(-c2nc(-c3ccccc3N)cs2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-12-8-6-11(7-9-12)16-18-15(10-20-16)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3
InChIKeyBTDNQVZCPZMMCV-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.07
Rot. Bonds3

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

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 61268827) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
PubChem CID61268827
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
SMILESCOc1ccc(-c2nc(-c3ccccc3N)cs2)cc1
InChIInChI=1S/C16H14N2OS/c1-19-12-8-6-11(7-9-12)16-18-15(10-20-16)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3
InChIKeyBTDNQVZCPZMMCV-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

2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
2-[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]aniline
CID 79197472
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline
CID 55103450

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline (CID 61268827) is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline is COc1ccc(-c2nc(-c3ccccc3N)cs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is BTDNQVZCPZMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-12-8-6-11(7-9-12)16-18-15(10-20-16)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline?
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-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 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 61268827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).