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

C9H15NS — CID 55296252

IUPAC4-butyl-5-ethyl-1,3-thiazole
SMILESCCCCc1ncsc1CC
InChIInChI=1S/C9H15NS/c1-3-5-6-8-9(4-2)11-7-10-8/h7H,3-6H2,1-2H3
InChIKeyVBXZROKMYYWPEZ-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.05
Rot. Bonds4

About 4-butyl-5-ethyl-1,3-thiazole

4-butyl-5-ethyl-1,3-thiazole (PubChem CID 55296252) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-butyl-5-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-butyl-5-ethyl-1,3-thiazole
PubChem CID55296252
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-butyl-5-ethyl-1,3-thiazole
SMILESCCCCc1ncsc1CC
InChIInChI=1S/C9H15NS/c1-3-5-6-8-9(4-2)11-7-10-8/h7H,3-6H2,1-2H3
InChIKeyVBXZROKMYYWPEZ-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 4-butyl-5-ethyl-1,3-thiazole?
The IUPAC name of 4-butyl-5-ethyl-1,3-thiazole (CID 55296252) is 4-butyl-5-ethyl-1,3-thiazole.
What is the SMILES notation for 4-butyl-5-ethyl-1,3-thiazole?
The canonical SMILES for 4-butyl-5-ethyl-1,3-thiazole is CCCCc1ncsc1CC.
What is the InChIKey of 4-butyl-5-ethyl-1,3-thiazole?
The InChIKey is VBXZROKMYYWPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-5-6-8-9(4-2)11-7-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-butyl-5-ethyl-1,3-thiazole?
4-butyl-5-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 4-butyl-5-ethyl-1,3-thiazole is sourced from PubChem (CID 55296252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).