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

C23H25N3O2S — CID 90839203

IUPAC1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCOCC2Cc2cccc(Nc3ccccc3)c2)nc1C
InChIInChI=1S/C23H25N3O2S/c1-16-22(17(2)27)29-23(24-16)26-11-12-28-15-21(26)14-18-7-6-10-20(13-18)25-19-8-4-3-5-9-19/h3-10,13,21,25H,11-12,14-15H2,1-2H3
InChIKeyDDIRNGPCRJLAHT-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.85
Rot. Bonds6

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

1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 90839203) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID90839203
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCOCC2Cc2cccc(Nc3ccccc3)c2)nc1C
InChIInChI=1S/C23H25N3O2S/c1-16-22(17(2)27)29-23(24-16)26-11-12-28-15-21(26)14-18-7-6-10-20(13-18)25-19-8-4-3-5-9-19/h3-10,13,21,25H,11-12,14-15H2,1-2H3
InChIKeyDDIRNGPCRJLAHT-UHFFFAOYSA-N
XLogP4.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 90839203) is 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N2CCOCC2Cc2cccc(Nc3ccccc3)c2)nc1C.
What is the InChIKey of 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is DDIRNGPCRJLAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-22(17(2)27)29-23(24-16)26-11-12-28-15-21(26)14-18-7-6-10-20(13-18)25-19-8-4-3-5-9-19/h3-10,13,21,25H,11-12,14-15H2,1-2H3.
What are the key properties of 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 407.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3-anilinophenyl)methyl]morpholin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 90839203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).