1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one

C18H24ClNOS — CID 122329471

IUPAC1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNOS/c19-16-9-7-15(8-10-16)18-20(12-13-22-18)17(21)11-6-14-4-2-1-3-5-14/h7-10,14,18H,1-6,11-13H2
InChIKeyUALGGLARJRQDAF-UHFFFAOYSA-N
MW337.92 g/mol
LogP5.27
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one

1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one (PubChem CID 122329471) has the molecular formula C18H24ClNOS and a molecular weight of 337.92 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
PubChem CID122329471
Molecular FormulaC18H24ClNOS
Molecular Weight337.92 g/mol
Exact Mass337.13
IUPAC Name1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNOS/c19-16-9-7-15(8-10-16)18-20(12-13-22-18)17(21)11-6-14-4-2-1-3-5-14/h7-10,14,18H,1-6,11-13H2
InChIKeyUALGGLARJRQDAF-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.92
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one (CID 122329471) is 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one is O=C(CCC1CCCCC1)N1CCSC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one?
The InChIKey is UALGGLARJRQDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNOS/c19-16-9-7-15(8-10-16)18-20(12-13-22-18)17(21)11-6-14-4-2-1-3-5-14/h7-10,14,18H,1-6,11-13H2.
What are the key properties of 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one?
1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one has a molecular weight of 337.92 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one is sourced from PubChem (CID 122329471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).