ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate

C9H10N2O3S — CID 54417411

IUPACethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)c1c(=O)[nH]n2c(C)csc12
InChIInChI=1S/C9H10N2O3S/c1-3-14-9(13)6-7(12)10-11-5(2)4-15-8(6)11/h4H,3H2,1-2H3,(H,10,12)
InChIKeyVYKNXMKOTNSWHJ-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.17
Rot. Bonds2

About ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate

ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate (PubChem CID 54417411) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate
PubChem CID54417411
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Nameethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)c1c(=O)[nH]n2c(C)csc12
InChIInChI=1S/C9H10N2O3S/c1-3-14-9(13)6-7(12)10-11-5(2)4-15-8(6)11/h4H,3H2,1-2H3,(H,10,12)
InChIKeyVYKNXMKOTNSWHJ-UHFFFAOYSA-N
XLogP1.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate (CID 54417411) is ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate is CCOC(=O)c1c(=O)[nH]n2c(C)csc12.
What is the InChIKey of ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is VYKNXMKOTNSWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-3-14-9(13)6-7(12)10-11-5(2)4-15-8(6)11/h4H,3H2,1-2H3,(H,10,12).
What are the key properties of ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 226.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-oxo-5H-pyrazolo[5,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 54417411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).