3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one

C17H16N2O2S — CID 92936578

IUPAC3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1ccccc1-c1csc(=O)n1Cc1ccc(N)cc1
InChIInChI=1S/C17H16N2O2S/c1-21-16-5-3-2-4-14(16)15-11-22-17(20)19(15)10-12-6-8-13(18)9-7-12/h2-9,11H,10,18H2,1H3
InChIKeyZLTGZMZHAATWCV-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.22
Rot. Bonds4

About 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one

3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one (PubChem CID 92936578) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one
PubChem CID92936578
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one
SMILESCOc1ccccc1-c1csc(=O)n1Cc1ccc(N)cc1
InChIInChI=1S/C17H16N2O2S/c1-21-16-5-3-2-4-14(16)15-11-22-17(20)19(15)10-12-6-8-13(18)9-7-12/h2-9,11H,10,18H2,1H3
InChIKeyZLTGZMZHAATWCV-UHFFFAOYSA-N
XLogP3.22
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 43287026
3-benzyl-4-(2-methoxy-5-methylphenyl)-1,3-thiazole-2-thione
CID 130209668
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194918
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479014
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
CID 139602460
3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 43286918
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one?
The IUPAC name of 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one (CID 92936578) is 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one is COc1ccccc1-c1csc(=O)n1Cc1ccc(N)cc1.
What is the InChIKey of 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one?
The InChIKey is ZLTGZMZHAATWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-16-5-3-2-4-14(16)15-11-22-17(20)19(15)10-12-6-8-13(18)9-7-12/h2-9,11H,10,18H2,1H3.
What are the key properties of 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one?
3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one has a molecular weight of 312.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 92936578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).