5-butyl-2-ethyl-1,3-thiazole

C9H15NS — CID 581137

IUPAC5-butyl-2-ethyl-1,3-thiazole
SMILESCCCCc1cnc(CC)s1
InChIInChI=1S/C9H15NS/c1-3-5-6-8-7-10-9(4-2)11-8/h7H,3-6H2,1-2H3
InChIKeyATVJLCAAVVLNRV-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.05
Rot. Bonds4

About 5-butyl-2-ethyl-1,3-thiazole

5-butyl-2-ethyl-1,3-thiazole (PubChem CID 581137) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-butyl-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2-ethyl-1,3-thiazole
PubChem CID581137
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-butyl-2-ethyl-1,3-thiazole
SMILESCCCCc1cnc(CC)s1
InChIInChI=1S/C9H15NS/c1-3-5-6-8-7-10-9(4-2)11-8/h7H,3-6H2,1-2H3
InChIKeyATVJLCAAVVLNRV-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-1,3-thiazole?
The IUPAC name of 5-butyl-2-ethyl-1,3-thiazole (CID 581137) is 5-butyl-2-ethyl-1,3-thiazole.
What is the SMILES notation for 5-butyl-2-ethyl-1,3-thiazole?
The canonical SMILES for 5-butyl-2-ethyl-1,3-thiazole is CCCCc1cnc(CC)s1.
What is the InChIKey of 5-butyl-2-ethyl-1,3-thiazole?
The InChIKey is ATVJLCAAVVLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-5-6-8-7-10-9(4-2)11-8/h7H,3-6H2,1-2H3.
What are the key properties of 5-butyl-2-ethyl-1,3-thiazole?
5-butyl-2-ethyl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-1,3-thiazole is sourced from PubChem (CID 581137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).