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

C10H15NO2S — CID 90326186

IUPACethyl 5-butyl-1,2-thiazole-3-carboxylate
SMILESCCCCc1cc(C(=O)OCC)ns1
InChIInChI=1S/C10H15NO2S/c1-3-5-6-8-7-9(11-14-8)10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeyYRJPOZUWVAUMIF-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.66
Rot. Bonds5

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

ethyl 5-butyl-1,2-thiazole-3-carboxylate (PubChem CID 90326186) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 5-butyl-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-butyl-1,2-thiazole-3-carboxylate
PubChem CID90326186
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 5-butyl-1,2-thiazole-3-carboxylate
SMILESCCCCc1cc(C(=O)OCC)ns1
InChIInChI=1S/C10H15NO2S/c1-3-5-6-8-7-9(11-14-8)10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeyYRJPOZUWVAUMIF-UHFFFAOYSA-N
XLogP2.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-butyl-1,2-thiazole-3-carboxylate?
The IUPAC name of ethyl 5-butyl-1,2-thiazole-3-carboxylate (CID 90326186) is ethyl 5-butyl-1,2-thiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-butyl-1,2-thiazole-3-carboxylate?
The canonical SMILES for ethyl 5-butyl-1,2-thiazole-3-carboxylate is CCCCc1cc(C(=O)OCC)ns1.
What is the InChIKey of ethyl 5-butyl-1,2-thiazole-3-carboxylate?
The InChIKey is YRJPOZUWVAUMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-5-6-8-7-9(11-14-8)10(12)13-4-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 5-butyl-1,2-thiazole-3-carboxylate?
ethyl 5-butyl-1,2-thiazole-3-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-butyl-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 90326186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).