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

C5H9NS — CID 18381193

IUPAC3-ethyl-2H-1,3-thiazole
SMILESCCN1C=CSC1
InChIInChI=1S/C5H9NS/c1-2-6-3-4-7-5-6/h3-4H,2,5H2,1H3
InChIKeyGMYSJXCHTSBPCK-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.48
Rot. Bonds1

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

3-ethyl-2H-1,3-thiazole (PubChem CID 18381193) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 3-ethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-ethyl-2H-1,3-thiazole
PubChem CID18381193
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name3-ethyl-2H-1,3-thiazole
SMILESCCN1C=CSC1
InChIInChI=1S/C5H9NS/c1-2-6-3-4-7-5-6/h3-4H,2,5H2,1H3
InChIKeyGMYSJXCHTSBPCK-UHFFFAOYSA-N
XLogP1.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-1,3-thiazole?
The IUPAC name of 3-ethyl-2H-1,3-thiazole (CID 18381193) is 3-ethyl-2H-1,3-thiazole.
What is the SMILES notation for 3-ethyl-2H-1,3-thiazole?
The canonical SMILES for 3-ethyl-2H-1,3-thiazole is CCN1C=CSC1.
What is the InChIKey of 3-ethyl-2H-1,3-thiazole?
The InChIKey is GMYSJXCHTSBPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-2-6-3-4-7-5-6/h3-4H,2,5H2,1H3.
What are the key properties of 3-ethyl-2H-1,3-thiazole?
3-ethyl-2H-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-1,3-thiazole is sourced from PubChem (CID 18381193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).