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

C15H18N2O2S — CID 16955784

IUPAC1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(C)cc2)n(CCO)c1C
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-13(7-5-10)16-15-17(8-9-18)11(2)14(20-15)12(3)19/h4-7,18H,8-9H2,1-3H3/b16-15-
InChIKeyJMGNOMXYJVHBSL-NXVVXOECSA-N
MW290.39 g/mol
LogP2.59
Rot. Bonds4

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

1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone (PubChem CID 16955784) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone
PubChem CID16955784
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(C)cc2)n(CCO)c1C
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-13(7-5-10)16-15-17(8-9-18)11(2)14(20-15)12(3)19/h4-7,18H,8-9H2,1-3H3/b16-15-
InChIKeyJMGNOMXYJVHBSL-NXVVXOECSA-N
XLogP2.59
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone (CID 16955784) is 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone is CC(=O)c1s/c(=N\c2ccc(C)cc2)n(CCO)c1C.
What is the InChIKey of 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone?
The InChIKey is JMGNOMXYJVHBSL-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-4-6-13(7-5-10)16-15-17(8-9-18)11(2)14(20-15)12(3)19/h4-7,18H,8-9H2,1-3H3/b16-15-.
What are the key properties of 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone?
1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone has a molecular weight of 290.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 16955784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).