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

C19H19N5O3S — CID 46132602

IUPAC2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc2scc(CC(=O)NCc3ccco3)n2c(=O)c1-c1cc(C)n(C)n1
InChIInChI=1S/C19H19N5O3S/c1-11-7-15(22-23(11)3)17-12(2)21-19-24(18(17)26)13(10-28-19)8-16(25)20-9-14-5-4-6-27-14/h4-7,10H,8-9H2,1-3H3,(H,20,25)
InChIKeyMKVPPMRDWLNBMU-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.23
Rot. Bonds5

About 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

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 (PubChem CID 46132602) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 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-(furan-2-ylmethyl)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-(furan-2-ylmethyl)acetamide
PubChem CID46132602
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name2-[6-(1,5-dimethylpyrazol-3-yl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc2scc(CC(=O)NCc3ccco3)n2c(=O)c1-c1cc(C)n(C)n1
InChIInChI=1S/C19H19N5O3S/c1-11-7-15(22-23(11)3)17-12(2)21-19-24(18(17)26)13(10-28-19)8-16(25)20-9-14-5-4-6-27-14/h4-7,10H,8-9H2,1-3H3,(H,20,25)
InChIKeyMKVPPMRDWLNBMU-UHFFFAOYSA-N
XLogP2.23
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(2-phenylethyl)acetamide
CID 46132609
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-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
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-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
N-(furan-2-ylmethyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686247
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-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 19520030
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439

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-(furan-2-ylmethyl)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-(furan-2-ylmethyl)acetamide (CID 46132602) is 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.
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-(furan-2-ylmethyl)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-(furan-2-ylmethyl)acetamide is Cc1nc2scc(CC(=O)NCc3ccco3)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-(furan-2-ylmethyl)acetamide?
The InChIKey is MKVPPMRDWLNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-11-7-15(22-23(11)3)17-12(2)21-19-24(18(17)26)13(10-28-19)8-16(25)20-9-14-5-4-6-27-14/h4-7,10H,8-9H2,1-3H3,(H,20,25).
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-(furan-2-ylmethyl)acetamide?
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 has a molecular weight of 397.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 46132602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).