ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate

C11H11N3O2S — CID 106678097

IUPACethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3nccnc3s2)CC1
InChIInChI=1S/C11H11N3O2S/c1-2-16-10(15)11(3-4-11)9-14-7-8(17-9)13-6-5-12-7/h5-6H,2-4H2,1H3
InChIKeyAMPLCMBFPIDBQF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.68
Rot. Bonds3

About ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate

ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate (PubChem CID 106678097) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate
PubChem CID106678097
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Nameethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3nccnc3s2)CC1
InChIInChI=1S/C11H11N3O2S/c1-2-16-10(15)11(3-4-11)9-14-7-8(17-9)13-6-5-12-7/h5-6H,2-4H2,1H3
InChIKeyAMPLCMBFPIDBQF-UHFFFAOYSA-N
XLogP1.68
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate
CID 106678127
ethyl 1-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxylate
CID 79480839
ethyl 1-(5-methyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
CID 79472492
methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
CID 116865741
ethyl 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
CID 79472385
ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate
CID 79471338
ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
CID 169171819
ethane;ethyl 1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)cyclopropane-1-carboxylate
CID 176918998
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexane-1-carboxylate
CID 114351861
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983

Frequently Asked Questions

What is the IUPAC name of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate (CID 106678097) is ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc3nccnc3s2)CC1.
What is the InChIKey of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate?
The InChIKey is AMPLCMBFPIDBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-16-10(15)11(3-4-11)9-14-7-8(17-9)13-6-5-12-7/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate?
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 106678097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).