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

C16H18ClN3O2S — CID 8669891

IUPAC1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(Cl)cc2)n(N2CCOCC2)c1C
InChIInChI=1S/C16H18ClN3O2S/c1-11-15(12(2)21)23-16(18-14-5-3-13(17)4-6-14)20(11)19-7-9-22-10-8-19/h3-6H,7-10H2,1-2H3/b18-16-
InChIKeyMKAOFOUSEMZMBM-VLGSPTGOSA-N
MW351.86 g/mol
LogP2.91
Rot. Bonds3

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

1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 8669891) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone
PubChem CID8669891
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(Cl)cc2)n(N2CCOCC2)c1C
InChIInChI=1S/C16H18ClN3O2S/c1-11-15(12(2)21)23-16(18-14-5-3-13(17)4-6-14)20(11)19-7-9-22-10-8-19/h3-6H,7-10H2,1-2H3/b18-16-
InChIKeyMKAOFOUSEMZMBM-VLGSPTGOSA-N
XLogP2.91
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone (CID 8669891) is 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone is CC(=O)c1s/c(=N\c2ccc(Cl)cc2)n(N2CCOCC2)c1C.
What is the InChIKey of 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is MKAOFOUSEMZMBM-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-11-15(12(2)21)23-16(18-14-5-3-13(17)4-6-14)20(11)19-7-9-22-10-8-19/h3-6H,7-10H2,1-2H3/b18-16-.
What are the key properties of 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 351.86 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)imino-4-methyl-3-morpholin-4-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 8669891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).