3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one

C15H14N4O3S — CID 134105118

IUPAC3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H14N4O3S/c1-9-7-10(2)17-15(16-9)18-13(20)8-23-14(18)11-5-3-4-6-12(11)19(21)22/h3-7,14H,8H2,1-2H3
InChIKeyPZCJFABEVFTNTJ-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.78
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one

3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 134105118) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID134105118
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H14N4O3S/c1-9-7-10(2)17-15(16-9)18-13(20)8-23-14(18)11-5-3-4-6-12(11)19(21)22/h3-7,14H,8H2,1-2H3
InChIKeyPZCJFABEVFTNTJ-UHFFFAOYSA-N
XLogP2.78
TPSA89.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4,6-bis(2-nitroanilino)-1,3,5-triazin-2-yl]-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 155538785
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 98173240
3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049589
3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 3422181
2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 3012196
2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 513686
3-(3,5-dimethylphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 4228855
(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 732386
2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 513696
4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CID 46132828
3-(3-fluoro-4-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 4228860
3-(4-bromophenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 15992471

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (CID 134105118) is 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is Cc1cc(C)nc(N2C(=O)CSC2c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is PZCJFABEVFTNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-9-7-10(2)17-15(16-9)18-13(20)8-23-14(18)11-5-3-4-6-12(11)19(21)22/h3-7,14H,8H2,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 330.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134105118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).