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

C14H17N3O2S — CID 106678127

IUPACethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3nccnc3s2)CCCCC1
InChIInChI=1S/C14H17N3O2S/c1-2-19-13(18)14(6-4-3-5-7-14)12-17-10-11(20-12)16-9-8-15-10/h8-9H,2-7H2,1H3
InChIKeyBZAUROUEUCYIRS-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.85
Rot. Bonds3

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

ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate (PubChem CID 106678127) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate
PubChem CID106678127
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3nccnc3s2)CCCCC1
InChIInChI=1S/C14H17N3O2S/c1-2-19-13(18)14(6-4-3-5-7-14)12-17-10-11(20-12)16-9-8-15-10/h8-9H,2-7H2,1H3
InChIKeyBZAUROUEUCYIRS-UHFFFAOYSA-N
XLogP2.85
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate (CID 106678127) is ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate is CCOC(=O)C1(c2nc3nccnc3s2)CCCCC1.
What is the InChIKey of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate?
The InChIKey is BZAUROUEUCYIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-19-13(18)14(6-4-3-5-7-14)12-17-10-11(20-12)16-9-8-15-10/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate?
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 2.85, 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)cyclohexane-1-carboxylate is sourced from PubChem (CID 106678127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).