(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone

C15H15N3O3S — CID 154778886

IUPAC(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone
SMILESCC1CCS(=O)(=O)N1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3S/c1-11-7-8-22(20,21)18(11)15(19)13-9-16-14(17-10-13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3
InChIKeyMKBMXCYUAZDMFR-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.71
Rot. Bonds2

About (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone

(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone (PubChem CID 154778886) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone
PubChem CID154778886
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone
SMILESCC1CCS(=O)(=O)N1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3S/c1-11-7-8-22(20,21)18(11)15(19)13-9-16-14(17-10-13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3
InChIKeyMKBMXCYUAZDMFR-UHFFFAOYSA-N
XLogP1.71
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone (CID 154778886) is (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone is CC1CCS(=O)(=O)N1C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone?
The InChIKey is MKBMXCYUAZDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11-7-8-22(20,21)18(11)15(19)13-9-16-14(17-10-13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3.
What are the key properties of (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone?
(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone has a molecular weight of 317.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 154778886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).