6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione

C22H20N4O4S — CID 2123184

IUPAC6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C22H20N4O4S/c1-3-11-26-19(23)15(21(28)25(2)22(26)29)20-24-16(14-10-7-12-30-14)18(31-20)17(27)13-8-5-4-6-9-13/h4-10,12H,3,11,23H2,1-2H3
InChIKeyGIYGEKYLCLUCJP-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.15
Rot. Bonds6

About 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2123184) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID2123184
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C22H20N4O4S/c1-3-11-26-19(23)15(21(28)25(2)22(26)29)20-24-16(14-10-7-12-30-14)18(31-20)17(27)13-8-5-4-6-9-13/h4-10,12H,3,11,23H2,1-2H3
InChIKeyGIYGEKYLCLUCJP-UHFFFAOYSA-N
XLogP3.15
TPSA113.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 2123184) is 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is GIYGEKYLCLUCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-3-11-26-19(23)15(21(28)25(2)22(26)29)20-24-16(14-10-7-12-30-14)18(31-20)17(27)13-8-5-4-6-9-13/h4-10,12H,3,11,23H2,1-2H3.
What are the key properties of 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 436.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2123184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).