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

C28H27N5O2S — CID 93125571

IUPAC2-[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
SMILESCc1ccc(-n2nc(-c3c(C)nc4scc(CC(=O)N[C@@H](C)c5ccccc5)n4c3=O)cc2C)cc1
InChIInChI=1S/C28H27N5O2S/c1-17-10-12-22(13-11-17)33-18(2)14-24(31-33)26-20(4)30-28-32(27(26)35)23(16-36-28)15-25(34)29-19(3)21-8-6-5-7-9-21/h5-14,16,19H,15H2,1-4H3,(H,29,34)/t19-/m0/s1
InChIKeySETWKWCODOEYSC-IBGZPJMESA-N
MW497.62 g/mol
LogP4.95
Rot. Bonds6

About 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

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 (PubChem CID 93125571) has the molecular formula C28H27N5O2S and a molecular weight of 497.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID93125571
Molecular FormulaC28H27N5O2S
Molecular Weight497.62 g/mol
Exact Mass497.19
IUPAC Name2-[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
SMILESCc1ccc(-n2nc(-c3c(C)nc4scc(CC(=O)N[C@@H](C)c5ccccc5)n4c3=O)cc2C)cc1
InChIInChI=1S/C28H27N5O2S/c1-17-10-12-22(13-11-17)33-18(2)14-24(31-33)26-20(4)30-28-32(27(26)35)23(16-36-28)15-25(34)29-19(3)21-8-6-5-7-9-21/h5-14,16,19H,15H2,1-4H3,(H,29,34)/t19-/m0/s1
InChIKeySETWKWCODOEYSC-IBGZPJMESA-N
XLogP4.95
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[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-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-(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
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
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
6-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-7-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42667021
2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 94080313
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-n2nc(-c3c(C)nc4scc(CC(=O)N[C@@H](C)c5ccccc5)n4c3=O)cc2C)cc1.
What is the InChIKey of 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?
The InChIKey is SETWKWCODOEYSC-IBGZPJMESA-N. The full InChI is InChI=1S/C28H27N5O2S/c1-17-10-12-22(13-11-17)33-18(2)14-24(31-33)26-20(4)30-28-32(27(26)35)23(16-36-28)15-25(34)29-19(3)21-8-6-5-7-9-21/h5-14,16,19H,15H2,1-4H3,(H,29,34)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 497.62 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 93125571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).