6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C26H26N4O2S — CID 17248655

IUPAC6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(-c2csc3ncc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c(=O)n23)cc1
InChIInChI=1S/C26H26N4O2S/c1-17-7-9-20(10-8-17)23-16-33-26-27-15-21(25(32)30(23)26)24(31)29-13-11-28(12-14-29)22-6-4-5-18(2)19(22)3/h4-10,15-16H,11-14H2,1-3H3
InChIKeyZRNLMSROVYQIOM-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.31
Rot. Bonds3

About 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17248655) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17248655
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(-c2csc3ncc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c(=O)n23)cc1
InChIInChI=1S/C26H26N4O2S/c1-17-7-9-20(10-8-17)23-16-33-26-27-15-21(25(32)30(23)26)24(31)29-13-11-28(12-14-29)22-6-4-5-18(2)19(22)3/h4-10,15-16H,11-14H2,1-3H3
InChIKeyZRNLMSROVYQIOM-UHFFFAOYSA-N
XLogP4.31
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4113165
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 17217267
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915101
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912
2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 112791474
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17248655) is 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(-c2csc3ncc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c(=O)n23)cc1.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZRNLMSROVYQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-17-7-9-20(10-8-17)23-16-33-26-27-15-21(25(32)30(23)26)24(31)29-13-11-28(12-14-29)22-6-4-5-18(2)19(22)3/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 458.59 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17248655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).