2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one

C13H10ClN3OS — CID 3024633

IUPAC2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2Cl)N1c1ncccn1
InChIInChI=1S/C13H10ClN3OS/c14-10-5-2-1-4-9(10)12-17(11(18)8-19-12)13-15-6-3-7-16-13/h1-7,12H,8H2
InChIKeyMVXVBBNUJOOGNC-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.91
Rot. Bonds2

About 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one

2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one (PubChem CID 3024633) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
PubChem CID3024633
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2Cl)N1c1ncccn1
InChIInChI=1S/C13H10ClN3OS/c14-10-5-2-1-4-9(10)12-17(11(18)8-19-12)13-15-6-3-7-16-13/h1-7,12H,8H2
InChIKeyMVXVBBNUJOOGNC-UHFFFAOYSA-N
XLogP2.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one (CID 3024633) is 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2Cl)N1c1ncccn1.
What is the InChIKey of 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is MVXVBBNUJOOGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-10-5-2-1-4-9(10)12-17(11(18)8-19-12)13-15-6-3-7-16-13/h1-7,12H,8H2.
What are the key properties of 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 291.76 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3024633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).