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

C24H26ClN5O2S — CID 93125589

IUPAC2-[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
SMILESCc1nc2scc(CC(=O)N[C@@H](C)C(C)C)n2c(=O)c1-c1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H26ClN5O2S/c1-13(2)15(4)26-21(31)11-19-12-33-24-27-16(5)22(23(32)29(19)24)20-9-14(3)30(28-20)18-8-6-7-17(25)10-18/h6-10,12-13,15H,11H2,1-5H3,(H,26,31)/t15-/m0/s1
InChIKeyRRSDTUPKOXBUEZ-HNNXBMFYSA-N
MW484.03 g/mol
LogP4.58
Rot. Bonds6

About 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

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 (PubChem CID 93125589) has the molecular formula C24H26ClN5O2S and a molecular weight of 484.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID93125589
Molecular FormulaC24H26ClN5O2S
Molecular Weight484.03 g/mol
Exact Mass483.15
IUPAC Name2-[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
SMILESCc1nc2scc(CC(=O)N[C@@H](C)C(C)C)n2c(=O)c1-c1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H26ClN5O2S/c1-13(2)15(4)26-21(31)11-19-12-33-24-27-16(5)22(23(32)29(19)24)20-9-14(3)30(28-20)18-8-6-7-17(25)10-18/h6-10,12-13,15H,11H2,1-5H3,(H,26,31)/t15-/m0/s1
InChIKeyRRSDTUPKOXBUEZ-HNNXBMFYSA-N
XLogP4.58
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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-[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
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
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
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
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
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-[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
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
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
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2scc(CC(=O)N[C@@H](C)C(C)C)n2c(=O)c1-c1cc(C)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 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?
The InChIKey is RRSDTUPKOXBUEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26ClN5O2S/c1-13(2)15(4)26-21(31)11-19-12-33-24-27-16(5)22(23(32)29(19)24)20-9-14(3)30(28-20)18-8-6-7-17(25)10-18/h6-10,12-13,15H,11H2,1-5H3,(H,26,31)/t15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 484.03 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 93125589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).