3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one

C11H18N2OS — CID 116552853

IUPAC3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCC(C)C(N)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-4-7(2)11(12)9(14)5-10-13-8(3)6-15-10/h6-7,11H,4-5,12H2,1-3H3
InChIKeyUUDJRCZWCCHGNJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.94
Rot. Bonds5

About 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one

3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one (PubChem CID 116552853) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
PubChem CID116552853
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
SMILESCCC(C)C(N)C(=O)Cc1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-4-7(2)11(12)9(14)5-10-13-8(3)6-15-10/h6-7,11H,4-5,12H2,1-3H3
InChIKeyUUDJRCZWCCHGNJ-UHFFFAOYSA-N
XLogP1.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116708274
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
CID 131842856
CID 131842856
ethyl 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 64668560
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 63199048
2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide
CID 119779606
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 103447216
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The IUPAC name of 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one (CID 116552853) is 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one.
What is the SMILES notation for 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The canonical SMILES for 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one is CCC(C)C(N)C(=O)Cc1nc(C)cs1.
What is the InChIKey of 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
The InChIKey is UUDJRCZWCCHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-7(2)11(12)9(14)5-10-13-8(3)6-15-10/h6-7,11H,4-5,12H2,1-3H3.
What are the key properties of 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one?
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one has a molecular weight of 226.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one is sourced from PubChem (CID 116552853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).