ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate

C9H10N4O2S — CID 59286703

IUPACethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ncc(C)nc2s1
InChIInChI=1S/C9H10N4O2S/c1-3-15-9(14)13-8-12-6-7(16-8)11-5(2)4-10-6/h4H,3H2,1-2H3,(H,10,12,13,14)
InChIKeyPAJFAGWPBGATNP-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.96
Rot. Bonds2

About ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate

ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate (PubChem CID 59286703) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate
PubChem CID59286703
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Nameethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ncc(C)nc2s1
InChIInChI=1S/C9H10N4O2S/c1-3-15-9(14)13-8-12-6-7(16-8)11-5(2)4-10-6/h4H,3H2,1-2H3,(H,10,12,13,14)
InChIKeyPAJFAGWPBGATNP-UHFFFAOYSA-N
XLogP1.96
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate?
The IUPAC name of ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate (CID 59286703) is ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate?
The canonical SMILES for ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate is CCOC(=O)Nc1nc2ncc(C)nc2s1.
What is the InChIKey of ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate?
The InChIKey is PAJFAGWPBGATNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-3-15-9(14)13-8-12-6-7(16-8)11-5(2)4-10-6/h4H,3H2,1-2H3,(H,10,12,13,14).
What are the key properties of ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate?
ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate has a molecular weight of 238.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)carbamate is sourced from PubChem (CID 59286703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).