5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline

C19H20N2OS — CID 82152282

IUPAC5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline
SMILESCCc1sc(Cc2ccc(OC)c(N)c2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-3-17-19(14-7-5-4-6-8-14)21-18(23-17)12-13-9-10-16(22-2)15(20)11-13/h4-11H,3,12,20H2,1-2H3
InChIKeyWGVXNZPEWYGMOV-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.55
Rot. Bonds5

About 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline

5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline (PubChem CID 82152282) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline
PubChem CID82152282
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline
SMILESCCc1sc(Cc2ccc(OC)c(N)c2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-3-17-19(14-7-5-4-6-8-14)21-18(23-17)12-13-9-10-16(22-2)15(20)11-13/h4-11H,3,12,20H2,1-2H3
InChIKeyWGVXNZPEWYGMOV-UHFFFAOYSA-N
XLogP4.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.55
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

4-[[5-ethyl-4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163872
4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163870
2-methoxy-5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 82476204
5-[(3-amino-4-methoxyphenyl)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82486384
[4-(3-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 86680598
5-(3,5-dimethoxyphenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 175215216
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 82186056
5-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylmethoxyaniline
CID 94758883

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline (CID 82152282) is 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline is CCc1sc(Cc2ccc(OC)c(N)c2)nc1-c1ccccc1.
What is the InChIKey of 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline?
The InChIKey is WGVXNZPEWYGMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-17-19(14-7-5-4-6-8-14)21-18(23-17)12-13-9-10-16(22-2)15(20)11-13/h4-11H,3,12,20H2,1-2H3.
What are the key properties of 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline?
5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline has a molecular weight of 324.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 82152282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).