(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

C15H13ClN2OS — CID 6924944

IUPAC(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2cccnc2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2OS/c16-13-5-3-11(4-6-13)9-18-14(19)10-20-15(18)12-2-1-7-17-8-12/h1-8,15H,9-10H2/t15-/m0/s1
InChIKeyLVVQHDBPUGBITE-HNNXBMFYSA-N
MW304.80 g/mol
LogP3.51
Rot. Bonds3

About (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 6924944) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID6924944
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2cccnc2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2OS/c16-13-5-3-11(4-6-13)9-18-14(19)10-20-15(18)12-2-1-7-17-8-12/h1-8,15H,9-10H2/t15-/m0/s1
InChIKeyLVVQHDBPUGBITE-HNNXBMFYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
(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
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-[(2,3-dimethoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3862186
2-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
CID 3843485
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 10339790
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100566632
3-benzyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 3555205
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494
3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3749516

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 6924944) is (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2cccnc2)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is LVVQHDBPUGBITE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-13-5-3-11(4-6-13)9-18-14(19)10-20-15(18)12-2-1-7-17-8-12/h1-8,15H,9-10H2/t15-/m0/s1.
What are the key properties of (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 304.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6924944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).