3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one

C10H16N2O2S — CID 116593776

IUPAC3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
SMILESCOCCCC(N)C(=O)Cc1cncs1
InChIInChI=1S/C10H16N2O2S/c1-14-4-2-3-9(11)10(13)5-8-6-12-7-15-8/h6-7,9H,2-5,11H2,1H3
InChIKeyYRRLUVPPNJVSAR-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.01
Rot. Bonds7

About 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one

3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one (PubChem CID 116593776) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one.

Molecular Properties

Compound Name3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
PubChem CID116593776
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
SMILESCOCCCC(N)C(=O)Cc1cncs1
InChIInChI=1S/C10H16N2O2S/c1-14-4-2-3-9(11)10(13)5-8-6-12-7-15-8/h6-7,9H,2-5,11H2,1H3
InChIKeyYRRLUVPPNJVSAR-UHFFFAOYSA-N
XLogP1.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106784753
Methyl 4-amino-5-(1,3-thiazol-5-yl)pentanoate
CID 62963139
Ethyl 4-amino-5-(1,3-thiazol-5-yl)pentanoate
CID 64145006
3-Amino-1-(2-methyl-1,3-thiazol-5-yl)pentan-2-one
CID 82398146
2-Amino-1-(1,3-thiazol-5-yl)pentan-3-one
CID 82406545
3-Amino-1-(1,3-thiazol-5-yl)butan-2-one
CID 82412395
4-Methoxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 104249515
4-Methoxy-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 104250623
4-methoxy-N-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 104250901
N-ethyl-4-(oxan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105030315
N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105030371
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105030372

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
The IUPAC name of 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one (CID 116593776) is 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one.
What is the SMILES notation for 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
The canonical SMILES for 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one is COCCCC(N)C(=O)Cc1cncs1.
What is the InChIKey of 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
The InChIKey is YRRLUVPPNJVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-14-4-2-3-9(11)10(13)5-8-6-12-7-15-8/h6-7,9H,2-5,11H2,1H3.
What are the key properties of 3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one?
3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one has a molecular weight of 228.32 g/mol, XLogP of 1.01, 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-(1,3-thiazol-5-yl)hexan-2-one is sourced from PubChem (CID 116593776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).