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

C17H21N3O2S — CID 7294978

IUPAC1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(C)cc2)n(N2CCOCC2)c1C
InChIInChI=1S/C17H21N3O2S/c1-12-4-6-15(7-5-12)18-17-20(19-8-10-22-11-9-19)13(2)16(23-17)14(3)21/h4-7H,8-11H2,1-3H3/b18-17-
InChIKeyVJRWJGAAGDJAQY-ZCXUNETKSA-N
MW331.44 g/mol
LogP2.57
Rot. Bonds3

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

1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 7294978) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone
PubChem CID7294978
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(C)cc2)n(N2CCOCC2)c1C
InChIInChI=1S/C17H21N3O2S/c1-12-4-6-15(7-5-12)18-17-20(19-8-10-22-11-9-19)13(2)16(23-17)14(3)21/h4-7H,8-11H2,1-3H3/b18-17-
InChIKeyVJRWJGAAGDJAQY-ZCXUNETKSA-N
XLogP2.57
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone (CID 7294978) is 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone is CC(=O)c1s/c(=N\c2ccc(C)cc2)n(N2CCOCC2)c1C.
What is the InChIKey of 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is VJRWJGAAGDJAQY-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-4-6-15(7-5-12)18-17-20(19-8-10-22-11-9-19)13(2)16(23-17)14(3)21/h4-7H,8-11H2,1-3H3/b18-17-.
What are the key properties of 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 7294978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).