1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one

C15H26N2OS — CID 58879764

IUPAC1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)c1sc(NC(C)(C)C)nc1C(=O)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-9(2)11-10(12(18)14(3,4)5)16-13(19-11)17-15(6,7)8/h9H,1-8H3,(H,16,17)
InChIKeyOWYATBXBTWLIFG-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.71
Rot. Bonds3

About 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one

1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 58879764) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one
PubChem CID58879764
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)c1sc(NC(C)(C)C)nc1C(=O)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-9(2)11-10(12(18)14(3,4)5)16-13(19-11)17-15(6,7)8/h9H,1-8H3,(H,16,17)
InChIKeyOWYATBXBTWLIFG-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one (CID 58879764) is 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one is CC(C)c1sc(NC(C)(C)C)nc1C(=O)C(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OWYATBXBTWLIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-9(2)11-10(12(18)14(3,4)5)16-13(19-11)17-15(6,7)8/h9H,1-8H3,(H,16,17).
What are the key properties of 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one?
1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 282.45 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58879764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).