2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione

C9H11N3O2S — CID 68661027

IUPAC2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione
SMILESCc1csc(C)n1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H7NS.C4H4N2O2/c1-4-3-7-5(2)6-4;7-3-1-2-5-4(8)6-3/h3H,1-2H3;1-2H,(H2,5,6,7,8)
InChIKeyLDGYGKVREYKXNJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.82
Rot. Bonds

About 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione

2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione (PubChem CID 68661027) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione
PubChem CID68661027
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione
SMILESCc1csc(C)n1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H7NS.C4H4N2O2/c1-4-3-7-5(2)6-4;7-3-1-2-5-4(8)6-3/h3H,1-2H3;1-2H,(H2,5,6,7,8)
InChIKeyLDGYGKVREYKXNJ-UHFFFAOYSA-N
XLogP0.82
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione (CID 68661027) is 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione is Cc1csc(C)n1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione?
The InChIKey is LDGYGKVREYKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C4H4N2O2/c1-4-3-7-5(2)6-4;7-3-1-2-5-4(8)6-3/h3H,1-2H3;1-2H,(H2,5,6,7,8).
What are the key properties of 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione?
2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione has a molecular weight of 225.27 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 68661027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).