(2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C28H27N5O2S — CID 6274621

IUPAC(2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCn1cc(/C=c2/sc3n(c2=O)C(c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1
InChIInChI=1S/C28H27N5O2S/c1-5-32-16-21(18(3)31-32)15-23-27(35)33-25(20-12-7-6-8-13-20)24(19(4)29-28(33)36-23)26(34)30-22-14-10-9-11-17(22)2/h6-16,25H,5H2,1-4H3,(H,30,34)/b23-15+
InChIKeyJSZBRBUGGDINDZ-HZHRSRAPSA-N
MW497.62 g/mol
LogP3.71
Rot. Bonds5

About (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 6274621) has the molecular formula C28H27N5O2S and a molecular weight of 497.62 g/mol. Its IUPAC name is (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID6274621
Molecular FormulaC28H27N5O2S
Molecular Weight497.62 g/mol
Exact Mass497.19
IUPAC Name(2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCn1cc(/C=c2/sc3n(c2=O)C(c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1
InChIInChI=1S/C28H27N5O2S/c1-5-32-16-21(18(3)31-32)15-23-27(35)33-25(20-12-7-6-8-13-20)24(19(4)29-28(33)36-23)26(34)30-22-14-10-9-11-17(22)2/h6-16,25H,5H2,1-4H3,(H,30,34)/b23-15+
InChIKeyJSZBRBUGGDINDZ-HZHRSRAPSA-N
XLogP3.71
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

methyl (2E,5R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 995399
(2E,5R)-5-(4-chlorophenyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 997483
2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4773853
(2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6210927
methyl (2E,5S)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 994596
(2Z,5R)-5-(4-chlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98223859
5-(4-chlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4773384
(2Z)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6210817
methyl (5S)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129442765
5-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4084819
(5R)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 997600
5-(4-chlorophenyl)-7-methyl-N-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4774539

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 6274621) is (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCn1cc(/C=c2/sc3n(c2=O)C(c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1.
What is the InChIKey of (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JSZBRBUGGDINDZ-HZHRSRAPSA-N. The full InChI is InChI=1S/C28H27N5O2S/c1-5-32-16-21(18(3)31-32)15-23-27(35)33-25(20-12-7-6-8-13-20)24(19(4)29-28(33)36-23)26(34)30-22-14-10-9-11-17(22)2/h6-16,25H,5H2,1-4H3,(H,30,34)/b23-15+.
What are the key properties of (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 6274621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).