1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one

C11H18N2OS — CID 62044439

IUPAC1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
SMILESCCCC(=O)CN(C)Cc1csc(C)n1
InChIInChI=1S/C11H18N2OS/c1-4-5-11(14)7-13(3)6-10-8-15-9(2)12-10/h8H,4-7H2,1-3H3
InChIKeyUSABSPCGHRYSCY-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.25
Rot. Bonds6

About 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one

1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one (PubChem CID 62044439) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one.

Molecular Properties

Compound Name1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
PubChem CID62044439
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
SMILESCCCC(=O)CN(C)Cc1csc(C)n1
InChIInChI=1S/C11H18N2OS/c1-4-5-11(14)7-13(3)6-10-8-15-9(2)12-10/h8H,4-7H2,1-3H3
InChIKeyUSABSPCGHRYSCY-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62051275
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 103070174
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050875
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750436
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylbutane-1,4-diamine
CID 62428102
N-[(3-fluoro-4-methylphenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855911
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855976

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
The IUPAC name of 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one (CID 62044439) is 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one.
What is the SMILES notation for 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
The canonical SMILES for 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one is CCCC(=O)CN(C)Cc1csc(C)n1.
What is the InChIKey of 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
The InChIKey is USABSPCGHRYSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-5-11(14)7-13(3)6-10-8-15-9(2)12-10/h8H,4-7H2,1-3H3.
What are the key properties of 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one is sourced from PubChem (CID 62044439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).