(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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Related Compounds

N-benzyl-4-(2-methylpropylamino)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidine-5-carboxamide
CID 45488378
N-Benzyl-2-[(Z)-Iminomethyl]pyrimidine-5-Carboxamide
CID 117072118
N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673821
N-benzyl-2-methoxypyrimidine-5-carboxamide
CID 49664414
N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide
CID 51094892
N-[2-(methanesulfonamido)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 53537629
N-[2-(ethylsulfonylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 53537992
N-(2-tert-butylsulfonylethyl)-2-phenylpyrimidine-5-carboxamide
CID 56789552
N-{2-[methyl(methylsulfonyl)amino]ethyl}-2-phenylpyrimidine-5-carboxamide
CID 56871291
[2-(4-Fluorophenyl)-4-[methyl(propan-2-yl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 83282944
[2-(4-Methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670319
[4-(Dimethylamino)-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670810

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).