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

C20H17ClN2O2S — CID 16751601

IUPAC5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
SMILESCc1ccc(C2N=C3SCC(=O)N3C(c3ccc(Cl)cc3)C2=O)cc1C
InChIInChI=1S/C20H17ClN2O2S/c1-11-3-4-14(9-12(11)2)17-19(25)18(13-5-7-15(21)8-6-13)23-16(24)10-26-20(23)22-17/h3-9,17-18H,10H2,1-2H3
InChIKeyGZUINVGIZKVXLY-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.25
Rot. Bonds2

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

5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione (PubChem CID 16751601) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
PubChem CID16751601
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
SMILESCc1ccc(C2N=C3SCC(=O)N3C(c3ccc(Cl)cc3)C2=O)cc1C
InChIInChI=1S/C20H17ClN2O2S/c1-11-3-4-14(9-12(11)2)17-19(25)18(13-5-7-15(21)8-6-13)23-16(24)10-26-20(23)22-17/h3-9,17-18H,10H2,1-2H3
InChIKeyGZUINVGIZKVXLY-UHFFFAOYSA-N
XLogP4.25
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
The IUPAC name of 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione (CID 16751601) is 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
The canonical SMILES for 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione is Cc1ccc(C2N=C3SCC(=O)N3C(c3ccc(Cl)cc3)C2=O)cc1C.
What is the InChIKey of 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
The InChIKey is GZUINVGIZKVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-11-3-4-14(9-12(11)2)17-19(25)18(13-5-7-15(21)8-6-13)23-16(24)10-26-20(23)22-17/h3-9,17-18H,10H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione?
5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione has a molecular weight of 384.89 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione is sourced from PubChem (CID 16751601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).