3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C15H18N2OS — CID 13304120

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1C1CC2CCC1C2
InChIInChI=1S/C15H18N2OS/c18-14-9-19-15(12-2-1-5-16-8-12)17(14)13-7-10-3-4-11(13)6-10/h1-2,5,8,10-11,13,15H,3-4,6-7,9H2
InChIKeyIJZABWMXLOGOIQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.84
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 13304120) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID13304120
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1C1CC2CCC1C2
InChIInChI=1S/C15H18N2OS/c18-14-9-19-15(12-2-1-5-16-8-12)17(14)13-7-10-3-4-11(13)6-10/h1-2,5,8,10-11,13,15H,3-4,6-7,9H2
InChIKeyIJZABWMXLOGOIQ-UHFFFAOYSA-N
XLogP2.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2S)-3-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 98142772
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 98173240
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
3-(4-cyclohexylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732157
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116
3-(4-nitrophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304122
(2S)-3-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925144
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
3-(4-bromo-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2826305
3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732041

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 13304120) is 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1C1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is IJZABWMXLOGOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14-9-19-15(12-2-1-5-16-8-12)17(14)13-7-10-3-4-11(13)6-10/h1-2,5,8,10-11,13,15H,3-4,6-7,9H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 274.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 13304120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).