2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

C14H13N3OS — CID 2732021

IUPAC2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1cccnc1
InChIInChI=1S/C14H13N3OS/c18-13-10-19-14(12-4-2-6-16-8-12)17(13)9-11-3-1-5-15-7-11/h1-8,14H,9-10H2
InChIKeyBFGYHBRCKKVHIQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.25
Rot. Bonds3

About 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 2732021) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID2732021
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1cccnc1
InChIInChI=1S/C14H13N3OS/c18-13-10-19-14(12-4-2-6-16-8-12)17(13)9-11-3-1-5-15-7-11/h1-8,14H,9-10H2
InChIKeyBFGYHBRCKKVHIQ-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732020
2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 74224086
3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3862186
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494
2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3789673
2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3477965
2-[4-(dimethylamino)phenyl]-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
CID 3316017
[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate
CID 3507515
2-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
CID 3843485
2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 10339790

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (CID 2732021) is 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1Cc1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is BFGYHBRCKKVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-13-10-19-14(12-4-2-6-16-8-12)17(13)9-11-3-1-5-15-7-11/h1-8,14H,9-10H2.
What are the key properties of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).