5-ethyl-1,3-thiazole

C5H7NS — CID 519456

IUPAC5-ethyl-1,3-thiazole
SMILESCCc1cncs1
InChIInChI=1S/C5H7NS/c1-2-5-3-6-4-7-5/h3-4H,2H2,1H3
InChIKeyASAMCDOTLOUAAR-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.71
Rot. Bonds1

About 5-ethyl-1,3-thiazole

5-ethyl-1,3-thiazole (PubChem CID 519456) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 5-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-1,3-thiazole
PubChem CID519456
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name5-ethyl-1,3-thiazole
SMILESCCc1cncs1
InChIInChI=1S/C5H7NS/c1-2-5-3-6-4-7-5/h3-4H,2H2,1H3
InChIKeyASAMCDOTLOUAAR-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 5-ethyl-1,3-thiazole?
The IUPAC name of 5-ethyl-1,3-thiazole (CID 519456) is 5-ethyl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-1,3-thiazole?
The canonical SMILES for 5-ethyl-1,3-thiazole is CCc1cncs1.
What is the InChIKey of 5-ethyl-1,3-thiazole?
The InChIKey is ASAMCDOTLOUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-2-5-3-6-4-7-5/h3-4H,2H2,1H3.
What are the key properties of 5-ethyl-1,3-thiazole?
5-ethyl-1,3-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 5-ethyl-1,3-thiazole is sourced from PubChem (CID 519456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).