2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide

C22H23N5O2S — CID 46132609

IUPAC2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
SMILESCc1nc2scc(CC(=O)NCCc3ccccc3)n2c(=O)c1-c1cc(C)n(C)n1
InChIInChI=1S/C22H23N5O2S/c1-14-11-18(25-26(14)3)20-15(2)24-22-27(21(20)29)17(13-30-22)12-19(28)23-10-9-16-7-5-4-6-8-16/h4-8,11,13H,9-10,12H2,1-3H3,(H,23,28)
InChIKeySDPPWLQPCQWVKP-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.67
Rot. Bonds6

About 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide

2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 46132609) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID46132609
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
SMILESCc1nc2scc(CC(=O)NCCc3ccccc3)n2c(=O)c1-c1cc(C)n(C)n1
InChIInChI=1S/C22H23N5O2S/c1-14-11-18(25-26(14)3)20-15(2)24-22-27(21(20)29)17(13-30-22)12-19(28)23-10-9-16-7-5-4-6-8-16/h4-8,11,13H,9-10,12H2,1-3H3,(H,23,28)
InChIKeySDPPWLQPCQWVKP-UHFFFAOYSA-N
XLogP2.67
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 46132602
2-[6-[1-(2,3-dimethylphenyl)-5-methylpyrazol-3-yl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 98426464
2-[7-methyl-6-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 93125571
N-benzyl-2-[7-methyl-6-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
CID 42805039
N-(1-benzylpiperidin-4-yl)-2-[6-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42805003
N-benzhydryl-2-[6-[1-(2-methoxyphenyl)-5-methylpyrazol-3-yl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42805110
2-[6-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 93125589
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 46132595
N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 93125627
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
ethyl 4-[2-[6-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperazine-1-carboxylate
CID 42805028

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide (CID 46132609) is 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide is Cc1nc2scc(CC(=O)NCCc3ccccc3)n2c(=O)c1-c1cc(C)n(C)n1.
What is the InChIKey of 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is SDPPWLQPCQWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14-11-18(25-26(14)3)20-15(2)24-22-27(21(20)29)17(13-30-22)12-19(28)23-10-9-16-7-5-4-6-8-16/h4-8,11,13H,9-10,12H2,1-3H3,(H,23,28).
What are the key properties of 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide?
2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 421.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46132609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).