ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine

C10H14N2S — CID 144565837

IUPACethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine
SMILESCC.Cc1nc2c(s1)N=CCC=C2
InChIInChI=1S/C8H8N2S.C2H6/c1-6-10-7-4-2-3-5-9-8(7)11-6;1-2/h2,4-5H,3H2,1H3;1-2H3
InChIKeyXODGOVNTWRFCKW-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.60
Rot. Bonds

About ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine

ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine (PubChem CID 144565837) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine.

Molecular Properties

Compound Nameethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine
PubChem CID144565837
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Nameethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine
SMILESCC.Cc1nc2c(s1)N=CCC=C2
InChIInChI=1S/C8H8N2S.C2H6/c1-6-10-7-4-2-3-5-9-8(7)11-6;1-2/h2,4-5H,3H2,1H3;1-2H3
InChIKeyXODGOVNTWRFCKW-UHFFFAOYSA-N
XLogP3.60
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine?
The IUPAC name of ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine (CID 144565837) is ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine.
What is the SMILES notation for ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine?
The canonical SMILES for ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine is CC.Cc1nc2c(s1)N=CCC=C2.
What is the InChIKey of ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine?
The InChIKey is XODGOVNTWRFCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.C2H6/c1-6-10-7-4-2-3-5-9-8(7)11-6;1-2/h2,4-5H,3H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine?
ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine has a molecular weight of 194.30 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6H-[1,3]thiazolo[5,4-b]azepine is sourced from PubChem (CID 144565837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).