1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone

C15H18N2O3S — CID 16955781

IUPAC1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCO)cc1
InChIInChI=1S/C15H18N2O3S/c1-10-14(11(2)19)21-15(17(10)8-9-18)16-12-4-6-13(20-3)7-5-12/h4-7,18H,8-9H2,1-3H3/b16-15-
InChIKeyYIMAJCIOSSWVRP-NXVVXOECSA-N
MW306.39 g/mol
LogP2.29
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone

1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 16955781) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID16955781
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCO)cc1
InChIInChI=1S/C15H18N2O3S/c1-10-14(11(2)19)21-15(17(10)8-9-18)16-12-4-6-13(20-3)7-5-12/h4-7,18H,8-9H2,1-3H3/b16-15-
InChIKeyYIMAJCIOSSWVRP-NXVVXOECSA-N
XLogP2.29
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone
CID 16955784
1-[2-(4-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
CID 7422610
2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24956127
1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 1498151
1-[3-(2-hydroxyethyl)-4-methyl-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imino-1,3-thiazol-5-yl]ethanone
CID 25271472
1-[2-(4-ethoxyphenyl)imino-4-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 24952217
1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392880
1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392977
ethyl 2-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl]acetate
CID 4107243
1-[2-(4-ethylphenyl)imino-4-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 24952216
1-[3-ethyl-4-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 68835223
1-[4-methyl-2-phenylimino-3-(2-piperazin-1-ylethyl)-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 45135180

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone (CID 16955781) is 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone is COc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCO)cc1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is YIMAJCIOSSWVRP-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-14(11(2)19)21-15(17(10)8-9-18)16-12-4-6-13(20-3)7-5-12/h4-7,18H,8-9H2,1-3H3/b16-15-.
What are the key properties of 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 306.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 16955781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).