3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one

C11H18N2O2S — CID 116593839

IUPAC3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
SMILESCOCCCC(N)C(=O)Cc1csc(C)n1
InChIInChI=1S/C11H18N2O2S/c1-8-13-9(7-16-8)6-11(14)10(12)4-3-5-15-2/h7,10H,3-6,12H2,1-2H3
InChIKeyLOWMRBVJMNKIFT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.32
Rot. Bonds7

About 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one

3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one (PubChem CID 116593839) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one.

Molecular Properties

Compound Name3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
PubChem CID116593839
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
SMILESCOCCCC(N)C(=O)Cc1csc(C)n1
InChIInChI=1S/C11H18N2O2S/c1-8-13-9(7-16-8)6-11(14)10(12)4-3-5-15-2/h7,10H,3-6,12H2,1-2H3
InChIKeyLOWMRBVJMNKIFT-UHFFFAOYSA-N
XLogP1.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116593776
1,1-diethoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79495928
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 116708071
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
3-amino-1-(4-fluoro-2-methylphenyl)-6-methoxyhexan-2-one
CID 114350472
4-methoxy-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 120702123
3-amino-1-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxyhexan-2-one
CID 116593803
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
4-methoxy-1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 62476800
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The IUPAC name of 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one (CID 116593839) is 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one.
What is the SMILES notation for 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The canonical SMILES for 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one is COCCCC(N)C(=O)Cc1csc(C)n1.
What is the InChIKey of 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The InChIKey is LOWMRBVJMNKIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-13-9(7-16-8)6-11(14)10(12)4-3-5-15-2/h7,10H,3-6,12H2,1-2H3.
What are the key properties of 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one has a molecular weight of 242.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one is sourced from PubChem (CID 116593839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).