3-tert-butyl-4-ethyl-1,2-thiazole

C9H15NS — CID 89084670

IUPAC3-tert-butyl-4-ethyl-1,2-thiazole
SMILESCCc1csnc1C(C)(C)C
InChIInChI=1S/C9H15NS/c1-5-7-6-11-10-8(7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyLQPKASSESREXJE-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.00
Rot. Bonds1

About 3-tert-butyl-4-ethyl-1,2-thiazole

3-tert-butyl-4-ethyl-1,2-thiazole (PubChem CID 89084670) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-tert-butyl-4-ethyl-1,2-thiazole.

Molecular Properties

Compound Name3-tert-butyl-4-ethyl-1,2-thiazole
PubChem CID89084670
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3-tert-butyl-4-ethyl-1,2-thiazole
SMILESCCc1csnc1C(C)(C)C
InChIInChI=1S/C9H15NS/c1-5-7-6-11-10-8(7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyLQPKASSESREXJE-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-ethyl-1,2-thiazole?
The IUPAC name of 3-tert-butyl-4-ethyl-1,2-thiazole (CID 89084670) is 3-tert-butyl-4-ethyl-1,2-thiazole.
What is the SMILES notation for 3-tert-butyl-4-ethyl-1,2-thiazole?
The canonical SMILES for 3-tert-butyl-4-ethyl-1,2-thiazole is CCc1csnc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-ethyl-1,2-thiazole?
The InChIKey is LQPKASSESREXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-7-6-11-10-8(7)9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-4-ethyl-1,2-thiazole?
3-tert-butyl-4-ethyl-1,2-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethyl-1,2-thiazole is sourced from PubChem (CID 89084670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).