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

C6H11NS — CID 141422643

IUPAC2-ethyl-2-methyl-3H-1,3-thiazole
SMILESCCC1(C)NC=CS1
InChIInChI=1S/C6H11NS/c1-3-6(2)7-4-5-8-6/h4-5,7H,3H2,1-2H3
InChIKeyYPINLIQDJMVNQM-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.92
Rot. Bonds1

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

2-ethyl-2-methyl-3H-1,3-thiazole (PubChem CID 141422643) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3H-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-2-methyl-3H-1,3-thiazole
PubChem CID141422643
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-ethyl-2-methyl-3H-1,3-thiazole
SMILESCCC1(C)NC=CS1
InChIInChI=1S/C6H11NS/c1-3-6(2)7-4-5-8-6/h4-5,7H,3H2,1-2H3
InChIKeyYPINLIQDJMVNQM-UHFFFAOYSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3H-1,3-thiazole?
The IUPAC name of 2-ethyl-2-methyl-3H-1,3-thiazole (CID 141422643) is 2-ethyl-2-methyl-3H-1,3-thiazole.
What is the SMILES notation for 2-ethyl-2-methyl-3H-1,3-thiazole?
The canonical SMILES for 2-ethyl-2-methyl-3H-1,3-thiazole is CCC1(C)NC=CS1.
What is the InChIKey of 2-ethyl-2-methyl-3H-1,3-thiazole?
The InChIKey is YPINLIQDJMVNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-6(2)7-4-5-8-6/h4-5,7H,3H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3H-1,3-thiazole?
2-ethyl-2-methyl-3H-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3H-1,3-thiazole is sourced from PubChem (CID 141422643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).