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

C19H24ClN3O2S — CID 7422627

IUPAC1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2cccc(Cl)c2)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C19H24ClN3O2S/c1-14-18(15(2)24)26-19(21-17-6-3-5-16(20)13-17)23(14)8-4-7-22-9-11-25-12-10-22/h3,5-6,13H,4,7-12H2,1-2H3/b21-19-
InChIKeyJFBLFIHNNKOKOX-VZCXRCSSSA-N
MW393.94 g/mol
LogP3.67
Rot. Bonds6

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

1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 7422627) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
PubChem CID7422627
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2cccc(Cl)c2)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C19H24ClN3O2S/c1-14-18(15(2)24)26-19(21-17-6-3-5-16(20)13-17)23(14)8-4-7-22-9-11-25-12-10-22/h3,5-6,13H,4,7-12H2,1-2H3/b21-19-
InChIKeyJFBLFIHNNKOKOX-VZCXRCSSSA-N
XLogP3.67
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone (CID 7422627) is 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1s/c(=N\c2cccc(Cl)c2)n(CCCN2CCOCC2)c1C.
What is the InChIKey of 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is JFBLFIHNNKOKOX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-14-18(15(2)24)26-19(21-17-6-3-5-16(20)13-17)23(14)8-4-7-22-9-11-25-12-10-22/h3,5-6,13H,4,7-12H2,1-2H3/b21-19-.
What are the key properties of 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 393.94 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 7422627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).