4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one

C11H18N2OS — CID 116550750

IUPAC4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CCN)n1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)9-7-15-10(13-9)6-8(14)4-5-12/h7H,4-6,12H2,1-3H3
InChIKeyICRFUKVVSRKCKD-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.90
Rot. Bonds4

About 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one

4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one (PubChem CID 116550750) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
PubChem CID116550750
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CCN)n1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)9-7-15-10(13-9)6-8(14)4-5-12/h7H,4-6,12H2,1-3H3
InChIKeyICRFUKVVSRKCKD-UHFFFAOYSA-N
XLogP1.90
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutan-2-one
CID 105118448
1-(4-tert-butyl-1,3-thiazol-2-yl)decan-2-one
CID 115786938
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxypentan-2-one
CID 79820419
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 105118402
1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one
CID 116575717
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)propan-2-one
CID 79827680
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propoxypropan-2-one
CID 79819641
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-one
CID 116563946
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-one
CID 105118447

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one?
The IUPAC name of 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one (CID 116550750) is 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one.
What is the SMILES notation for 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one?
The canonical SMILES for 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one is CC(C)(C)c1csc(CC(=O)CCN)n1.
What is the InChIKey of 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one?
The InChIKey is ICRFUKVVSRKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)9-7-15-10(13-9)6-8(14)4-5-12/h7H,4-6,12H2,1-3H3.
What are the key properties of 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one?
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one has a molecular weight of 226.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one is sourced from PubChem (CID 116550750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).