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

C11H14N2OS — CID 123982868

IUPAC3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCc1ccncc1)N1CCSC1
InChIInChI=1S/C11H14N2OS/c14-11(13-7-8-15-9-13)2-1-10-3-5-12-6-4-10/h3-6H,1-2,7-9H2
InChIKeyRQSRWFAQEMJUSG-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.55
Rot. Bonds3

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

3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 123982868) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID123982868
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCc1ccncc1)N1CCSC1
InChIInChI=1S/C11H14N2OS/c14-11(13-7-8-15-9-13)2-1-10-3-5-12-6-4-10/h3-6H,1-2,7-9H2
InChIKeyRQSRWFAQEMJUSG-UHFFFAOYSA-N
XLogP1.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 71131250
4-(4-bromophenyl)-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 19772140
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 166184387
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-[4-(2,2-difluoro-3-hydroxypropyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 126834571
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95613223

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 123982868) is 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one is O=C(CCc1ccncc1)N1CCSC1.
What is the InChIKey of 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is RQSRWFAQEMJUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(13-7-8-15-9-13)2-1-10-3-5-12-6-4-10/h3-6H,1-2,7-9H2.
What are the key properties of 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one?
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 222.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 123982868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).