4-ethyl-4-methyl-5H-1,3-thiazole

C6H11NS — CID 91504526

IUPAC4-ethyl-4-methyl-5H-1,3-thiazole
SMILESCCC1(C)CSC=N1
InChIInChI=1S/C6H11NS/c1-3-6(2)4-8-5-7-6/h5H,3-4H2,1-2H3
InChIKeyXHCIQXFIFOKWJB-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.93
Rot. Bonds1

About 4-ethyl-4-methyl-5H-1,3-thiazole

4-ethyl-4-methyl-5H-1,3-thiazole (PubChem CID 91504526) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-ethyl-4-methyl-5H-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-4-methyl-5H-1,3-thiazole
PubChem CID91504526
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-ethyl-4-methyl-5H-1,3-thiazole
SMILESCCC1(C)CSC=N1
InChIInChI=1S/C6H11NS/c1-3-6(2)4-8-5-7-6/h5H,3-4H2,1-2H3
InChIKeyXHCIQXFIFOKWJB-UHFFFAOYSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-5H-1,3-thiazole?
The IUPAC name of 4-ethyl-4-methyl-5H-1,3-thiazole (CID 91504526) is 4-ethyl-4-methyl-5H-1,3-thiazole.
What is the SMILES notation for 4-ethyl-4-methyl-5H-1,3-thiazole?
The canonical SMILES for 4-ethyl-4-methyl-5H-1,3-thiazole is CCC1(C)CSC=N1.
What is the InChIKey of 4-ethyl-4-methyl-5H-1,3-thiazole?
The InChIKey is XHCIQXFIFOKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-6(2)4-8-5-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-4-methyl-5H-1,3-thiazole?
4-ethyl-4-methyl-5H-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-5H-1,3-thiazole is sourced from PubChem (CID 91504526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).