1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one

C10H15NOS — CID 59266617

IUPAC1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
SMILESCCc1scnc1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NOS/c1-5-7-8(11-6-13-7)9(12)10(2,3)4/h6H,5H2,1-4H3
InChIKeyLBGDVNGAJVIDHY-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.93
Rot. Bonds2

About 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one

1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 59266617) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
PubChem CID59266617
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
SMILESCCc1scnc1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NOS/c1-5-7-8(11-6-13-7)9(12)10(2,3)4/h6H,5H2,1-4H3
InChIKeyLBGDVNGAJVIDHY-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one (CID 59266617) is 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one is CCc1scnc1C(=O)C(C)(C)C.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LBGDVNGAJVIDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-5-7-8(11-6-13-7)9(12)10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59266617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).