1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone

C11H18N2OS — CID 82439628

IUPAC1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C11H18N2OS/c1-7(14)8-9(11(2,3)4)12-10(15-8)13(5)6/h1-6H3
InChIKeyLWPDMXQBRIODTF-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.71
Rot. Bonds2

About 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone

1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 82439628) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID82439628
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C11H18N2OS/c1-7(14)8-9(11(2,3)4)12-10(15-8)13(5)6/h1-6H3
InChIKeyLWPDMXQBRIODTF-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone (CID 82439628) is 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)C)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is LWPDMXQBRIODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(14)8-9(11(2,3)4)12-10(15-8)13(5)6/h1-6H3.
What are the key properties of 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 226.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82439628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).