1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone

C16H19N3O2S — CID 7294985

IUPAC1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1s/c(=N\c2ccccc2)n(N2CCOCC2)c1C
InChIInChI=1S/C16H19N3O2S/c1-12-15(13(2)20)22-16(17-14-6-4-3-5-7-14)19(12)18-8-10-21-11-9-18/h3-7H,8-11H2,1-2H3/b17-16-
InChIKeyFIBFPWWNAABEND-MSUUIHNZSA-N
MW317.41 g/mol
LogP2.26
Rot. Bonds3

About 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone

1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone (PubChem CID 7294985) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone
PubChem CID7294985
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1s/c(=N\c2ccccc2)n(N2CCOCC2)c1C
InChIInChI=1S/C16H19N3O2S/c1-12-15(13(2)20)22-16(17-14-6-4-3-5-7-14)19(12)18-8-10-21-11-9-18/h3-7H,8-11H2,1-2H3/b17-16-
InChIKeyFIBFPWWNAABEND-MSUUIHNZSA-N
XLogP2.26
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone with MolForge

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Related Compounds

ethyl N-phenyl-4-morpholinecarbimidothioate
CID 18558755
(E)-N-[(ethylthio)morpholinomethylene]aniline
CID 829622
(Z)-1-(2-((2-chlorophenyl)imino)-4-methyl-3-(3-morpholinopropyl)-2,3-dihydrothiazol-5-yl)ethanone
CID 7615062
prop-2-enyl N-phenylmorpholine-4-carboximidothioate
CID 86248595
1-[4-Methyl-2-(4-methylphenyl)imino-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone
CID 7294978
4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine
CID 7294980
1-[4-Methyl-2-(4-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
CID 7422615
1-[4-Methyl-2-(2-methylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
CID 7422617
1-[2-(4-Chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
CID 7422621
1-[2-(3-Chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
CID 7422627
1-[4-Methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone
CID 7422630
1-[(2Z)-2-[(4-chlorophenyl)imino]-4-methyl-3-(morpholin-4-yl)-2,3-dihydro-1,3-thiazol-5-yl]ethanone
CID 8669891

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone (CID 7294985) is 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone is CC(=O)c1s/c(=N\c2ccccc2)n(N2CCOCC2)c1C.
What is the InChIKey of 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone?
The InChIKey is FIBFPWWNAABEND-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-15(13(2)20)22-16(17-14-6-4-3-5-7-14)19(12)18-8-10-21-11-9-18/h3-7H,8-11H2,1-2H3/b17-16-.
What are the key properties of 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone?
1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone has a molecular weight of 317.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-morpholin-4-yl-2-phenylimino-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 7294985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).