7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione

C21H20N2O2S — CID 16751602

IUPAC7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
SMILESCc1ccc(C2C(=O)C(c3ccc(C)c(C)c3)N=C3SCC(=O)N32)cc1
InChIInChI=1S/C21H20N2O2S/c1-12-4-7-15(8-5-12)19-20(25)18(16-9-6-13(2)14(3)10-16)22-21-23(19)17(24)11-26-21/h4-10,18-19H,11H2,1-3H3
InChIKeyRSSWRRHKGKHLAE-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.91
Rot. Bonds2

About 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione

7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione (PubChem CID 16751602) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
PubChem CID16751602
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
SMILESCc1ccc(C2C(=O)C(c3ccc(C)c(C)c3)N=C3SCC(=O)N32)cc1
InChIInChI=1S/C21H20N2O2S/c1-12-4-7-15(8-5-12)19-20(25)18(16-9-6-13(2)14(3)10-16)22-21-23(19)17(24)11-26-21/h4-10,18-19H,11H2,1-3H3
InChIKeyRSSWRRHKGKHLAE-UHFFFAOYSA-N
XLogP3.91
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
The IUPAC name of 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione (CID 16751602) is 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
The canonical SMILES for 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione is Cc1ccc(C2C(=O)C(c3ccc(C)c(C)c3)N=C3SCC(=O)N32)cc1.
What is the InChIKey of 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
The InChIKey is RSSWRRHKGKHLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-12-4-7-15(8-5-12)19-20(25)18(16-9-6-13(2)14(3)10-16)22-21-23(19)17(24)11-26-21/h4-10,18-19H,11H2,1-3H3.
What are the key properties of 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione has a molecular weight of 364.47 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione is sourced from PubChem (CID 16751602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).