3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one

C10H16N2OS — CID 79395276

IUPAC3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)Cc1cscn1
InChIInChI=1S/C10H16N2OS/c1-8(2)10(13)5-12(3)4-9-6-14-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyIDHQIRFYZOIUSM-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.80
Rot. Bonds5

About 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one

3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one (PubChem CID 79395276) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
PubChem CID79395276
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)Cc1cscn1
InChIInChI=1S/C10H16N2OS/c1-8(2)10(13)5-12(3)4-9-6-14-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyIDHQIRFYZOIUSM-UHFFFAOYSA-N
XLogP1.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 103070150
3,3,3-trifluoro-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]propanoic acid
CID 80996867
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
3-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 64996041
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051055
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052236
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one?
The IUPAC name of 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one (CID 79395276) is 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one?
The canonical SMILES for 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one is CC(C)C(=O)CN(C)Cc1cscn1.
What is the InChIKey of 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one?
The InChIKey is IDHQIRFYZOIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)10(13)5-12(3)4-9-6-14-7-11-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one?
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one is sourced from PubChem (CID 79395276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).