ethane;5-ethyl-3-methyl-1,2-thiazole;propane

C11H23NS — CID 145022524

IUPACethane;5-ethyl-3-methyl-1,2-thiazole;propane
SMILESCC.CCC.CCc1cc(C)ns1
InChIInChI=1S/C6H9NS.C3H8.C2H6/c1-3-6-4-5(2)7-8-6;1-3-2;1-2/h4H,3H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyQSCIIUVENDFAOO-UHFFFAOYSA-N
MW201.38 g/mol
LogP4.46
Rot. Bonds1

About ethane;5-ethyl-3-methyl-1,2-thiazole;propane

ethane;5-ethyl-3-methyl-1,2-thiazole;propane (PubChem CID 145022524) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is ethane;5-ethyl-3-methyl-1,2-thiazole;propane.

Molecular Properties

Compound Nameethane;5-ethyl-3-methyl-1,2-thiazole;propane
PubChem CID145022524
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Nameethane;5-ethyl-3-methyl-1,2-thiazole;propane
SMILESCC.CCC.CCc1cc(C)ns1
InChIInChI=1S/C6H9NS.C3H8.C2H6/c1-3-6-4-5(2)7-8-6;1-3-2;1-2/h4H,3H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyQSCIIUVENDFAOO-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-methyl-1,2-thiazole;propane?
The IUPAC name of ethane;5-ethyl-3-methyl-1,2-thiazole;propane (CID 145022524) is ethane;5-ethyl-3-methyl-1,2-thiazole;propane.
What is the SMILES notation for ethane;5-ethyl-3-methyl-1,2-thiazole;propane?
The canonical SMILES for ethane;5-ethyl-3-methyl-1,2-thiazole;propane is CC.CCC.CCc1cc(C)ns1.
What is the InChIKey of ethane;5-ethyl-3-methyl-1,2-thiazole;propane?
The InChIKey is QSCIIUVENDFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C3H8.C2H6/c1-3-6-4-5(2)7-8-6;1-3-2;1-2/h4H,3H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-3-methyl-1,2-thiazole;propane?
ethane;5-ethyl-3-methyl-1,2-thiazole;propane has a molecular weight of 201.38 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-methyl-1,2-thiazole;propane is sourced from PubChem (CID 145022524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).