ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine

C9H18N2S — CID 164573527

IUPACethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC1NC2=C(NCCC2)S1
InChIInChI=1S/C7H12N2S.C2H6/c1-5-9-6-3-2-4-8-7(6)10-5;1-2/h5,8-9H,2-4H2,1H3;1-2H3
InChIKeyNZHCEDPCQUBBBZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.25
Rot. Bonds

About ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine

ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 164573527) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID164573527
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Nameethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC1NC2=C(NCCC2)S1
InChIInChI=1S/C7H12N2S.C2H6/c1-5-9-6-3-2-4-8-7(6)10-5;1-2/h5,8-9H,2-4H2,1H3;1-2H3
InChIKeyNZHCEDPCQUBBBZ-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine (CID 164573527) is ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine is CC.CC1NC2=C(NCCC2)S1.
What is the InChIKey of ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is NZHCEDPCQUBBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C2H6/c1-5-9-6-3-2-4-8-7(6)10-5;1-2/h5,8-9H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine?
ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 186.32 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,2,4,5,6,7-hexahydro-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 164573527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).