3-ethyl-1,2-thiazole

C5H7NS — CID 14343599

IUPAC3-ethyl-1,2-thiazole
SMILESCCc1ccsn1
InChIInChI=1S/C5H7NS/c1-2-5-3-4-7-6-5/h3-4H,2H2,1H3
InChIKeyXJJVJKLSFMUBAR-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.71
Rot. Bonds1

About 3-ethyl-1,2-thiazole

3-ethyl-1,2-thiazole (PubChem CID 14343599) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 3-ethyl-1,2-thiazole.

Molecular Properties

Compound Name3-ethyl-1,2-thiazole
PubChem CID14343599
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name3-ethyl-1,2-thiazole
SMILESCCc1ccsn1
InChIInChI=1S/C5H7NS/c1-2-5-3-4-7-6-5/h3-4H,2H2,1H3
InChIKeyXJJVJKLSFMUBAR-UHFFFAOYSA-N
XLogP1.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-thiazole?
The IUPAC name of 3-ethyl-1,2-thiazole (CID 14343599) is 3-ethyl-1,2-thiazole.
What is the SMILES notation for 3-ethyl-1,2-thiazole?
The canonical SMILES for 3-ethyl-1,2-thiazole is CCc1ccsn1.
What is the InChIKey of 3-ethyl-1,2-thiazole?
The InChIKey is XJJVJKLSFMUBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-2-5-3-4-7-6-5/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-1,2-thiazole?
3-ethyl-1,2-thiazole has a molecular weight of 113.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-thiazole is sourced from PubChem (CID 14343599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).