ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate

C12H11N5O3S — CID 135477230

IUPACethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-n2ncc3c(=O)[nH]cnc32)nc1C
InChIInChI=1S/C12H11N5O3S/c1-3-20-11(19)8-6(2)16-12(21-8)17-9-7(4-15-17)10(18)14-5-13-9/h4-5H,3H2,1-2H3,(H,13,14,18)
InChIKeyIUIPNHMODRUVHS-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.05
Rot. Bonds3

About ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 135477230) has the molecular formula C12H11N5O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID135477230
Molecular FormulaC12H11N5O3S
Molecular Weight305.32 g/mol
Exact Mass305.06
IUPAC Nameethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-n2ncc3c(=O)[nH]cnc32)nc1C
InChIInChI=1S/C12H11N5O3S/c1-3-20-11(19)8-6(2)16-12(21-8)17-9-7(4-15-17)10(18)14-5-13-9/h4-5H,3H2,1-2H3,(H,13,14,18)
InChIKeyIUIPNHMODRUVHS-UHFFFAOYSA-N
XLogP1.05
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168708241
1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135412639
ethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 24951183
ethyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 168659314
ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 54742342
ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73213190
ethyl 4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135441508
(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate
CID 135986041
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
ethyl 2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 133465683
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate (CID 135477230) is ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-n2ncc3c(=O)[nH]cnc32)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is IUIPNHMODRUVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S/c1-3-20-11(19)8-6(2)16-12(21-8)17-9-7(4-15-17)10(18)14-5-13-9/h4-5H,3H2,1-2H3,(H,13,14,18).
What are the key properties of ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 305.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135477230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).