1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one

C12H14ClNOS — CID 19905279

IUPAC1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCN1CCSC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12(15)5-6-14-7-8-16-9-14/h1-4H,5-9H2
InChIKeyJPSPTSMFMYHRQY-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one

1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 19905279) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID19905279
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCN1CCSC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12(15)5-6-14-7-8-16-9-14/h1-4H,5-9H2
InChIKeyJPSPTSMFMYHRQY-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
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1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one (CID 19905279) is 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one is O=C(CCN1CCSC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is JPSPTSMFMYHRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-11-3-1-10(2-4-11)12(15)5-6-14-7-8-16-9-14/h1-4H,5-9H2.
What are the key properties of 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one?
1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 255.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 19905279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).