3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione

C18H19N3O2S — CID 2822031

IUPAC3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCc1csc(-c2cn(C(C)C)c(=O)n(Cc3ccccc3)c2=O)n1
InChIInChI=1S/C18H19N3O2S/c1-12(2)20-10-15(16-19-13(3)11-24-16)17(22)21(18(20)23)9-14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3
InChIKeyLKYXJCHSNRKXFW-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.07
Rot. Bonds4

About 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione

3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 2822031) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID2822031
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione
SMILESCc1csc(-c2cn(C(C)C)c(=O)n(Cc3ccccc3)c2=O)n1
InChIInChI=1S/C18H19N3O2S/c1-12(2)20-10-15(16-19-13(3)11-24-16)17(22)21(18(20)23)9-14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3
InChIKeyLKYXJCHSNRKXFW-UHFFFAOYSA-N
XLogP3.07
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione (CID 2822031) is 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione is Cc1csc(-c2cn(C(C)C)c(=O)n(Cc3ccccc3)c2=O)n1.
What is the InChIKey of 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is LKYXJCHSNRKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(2)20-10-15(16-19-13(3)11-24-16)17(22)21(18(20)23)9-14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3.
What are the key properties of 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione?
3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 341.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 2822031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).