2-ethyl-3-methyl-2H-1,3-thiazole

C6H11NS — CID 154205411

IUPAC2-ethyl-3-methyl-2H-1,3-thiazole
SMILESCCC1SC=CN1C
InChIInChI=1S/C6H11NS/c1-3-6-7(2)4-5-8-6/h4-6H,3H2,1-2H3
InChIKeyOINHRCACUUSIHA-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.87
Rot. Bonds1

About 2-ethyl-3-methyl-2H-1,3-thiazole

2-ethyl-3-methyl-2H-1,3-thiazole (PubChem CID 154205411) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-ethyl-3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-3-methyl-2H-1,3-thiazole
PubChem CID154205411
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-ethyl-3-methyl-2H-1,3-thiazole
SMILESCCC1SC=CN1C
InChIInChI=1S/C6H11NS/c1-3-6-7(2)4-5-8-6/h4-6H,3H2,1-2H3
InChIKeyOINHRCACUUSIHA-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-2H-1,3-thiazole?
The IUPAC name of 2-ethyl-3-methyl-2H-1,3-thiazole (CID 154205411) is 2-ethyl-3-methyl-2H-1,3-thiazole.
What is the SMILES notation for 2-ethyl-3-methyl-2H-1,3-thiazole?
The canonical SMILES for 2-ethyl-3-methyl-2H-1,3-thiazole is CCC1SC=CN1C.
What is the InChIKey of 2-ethyl-3-methyl-2H-1,3-thiazole?
The InChIKey is OINHRCACUUSIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-6-7(2)4-5-8-6/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-2H-1,3-thiazole?
2-ethyl-3-methyl-2H-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 154205411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).