ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine

C14H27N3S — CID 156750550

IUPACethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine
SMILESCC.CC.CC.Cc1nc2nc(C)c(C)nc2s1
InChIInChI=1S/C8H9N3S.3C2H6/c1-4-5(2)10-8-7(9-4)11-6(3)12-8;3*1-2/h1-3H3;3*1-2H3
InChIKeyBJGRZUZLFMWWBZ-UHFFFAOYSA-N
MW269.46 g/mol
LogP5.09
Rot. Bonds

About ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine

ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine (PubChem CID 156750550) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine.

Molecular Properties

Compound Nameethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine
PubChem CID156750550
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Nameethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine
SMILESCC.CC.CC.Cc1nc2nc(C)c(C)nc2s1
InChIInChI=1S/C8H9N3S.3C2H6/c1-4-5(2)10-8-7(9-4)11-6(3)12-8;3*1-2/h1-3H3;3*1-2H3
InChIKeyBJGRZUZLFMWWBZ-UHFFFAOYSA-N
XLogP5.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine?
The IUPAC name of ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine (CID 156750550) is ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine.
What is the SMILES notation for ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine?
The canonical SMILES for ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine is CC.CC.CC.Cc1nc2nc(C)c(C)nc2s1.
What is the InChIKey of ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine?
The InChIKey is BJGRZUZLFMWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S.3C2H6/c1-4-5(2)10-8-7(9-4)11-6(3)12-8;3*1-2/h1-3H3;3*1-2H3.
What are the key properties of ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine?
ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine has a molecular weight of 269.46 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine is sourced from PubChem (CID 156750550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).