1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one

C12H19NOS — CID 15329697

IUPAC1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(C(C)(C)C)ns1
InChIInChI=1S/C12H19NOS/c1-11(2,3)9-7-8(15-13-9)10(14)12(4,5)6/h7H,1-6H3
InChIKeyQRQKMOBZFOZYII-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.67
Rot. Bonds1

About 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one

1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 15329697) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one
PubChem CID15329697
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(C(C)(C)C)ns1
InChIInChI=1S/C12H19NOS/c1-11(2,3)9-7-8(15-13-9)10(14)12(4,5)6/h7H,1-6H3
InChIKeyQRQKMOBZFOZYII-UHFFFAOYSA-N
XLogP3.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one (CID 15329697) is 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(C(C)(C)C)ns1.
What is the InChIKey of 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is QRQKMOBZFOZYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-11(2,3)9-7-8(15-13-9)10(14)12(4,5)6/h7H,1-6H3.
What are the key properties of 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one?
1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 225.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 15329697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).