2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide

C13H20N4OS — CID 106344537

IUPAC2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide
SMILESCc1cn2c(CNC(C(N)=O)C(C)C)c(C)nc2s1
InChIInChI=1S/C13H20N4OS/c1-7(2)11(12(14)18)15-5-10-9(4)16-13-17(10)6-8(3)19-13/h6-7,11,15H,5H2,1-4H3,(H2,14,18)
InChIKeyHOPXAMWFWSXNNY-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.61
Rot. Bonds5

About 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide

2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide (PubChem CID 106344537) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide
PubChem CID106344537
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide
SMILESCc1cn2c(CNC(C(N)=O)C(C)C)c(C)nc2s1
InChIInChI=1S/C13H20N4OS/c1-7(2)11(12(14)18)15-5-10-9(4)16-13-17(10)6-8(3)19-13/h6-7,11,15H,5H2,1-4H3,(H2,14,18)
InChIKeyHOPXAMWFWSXNNY-UHFFFAOYSA-N
XLogP1.61
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine
CID 43625914
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 43625807
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 43625834
methyl 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetate
CID 43625703
(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methanesulfonamide
CID 115000036
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 43625802
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hex-4-yn-1-ol
CID 126823787
(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 96500967
(1R)-1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81374703
1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43625803
(2S,3S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 96500969
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide?
The IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide (CID 106344537) is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide is Cc1cn2c(CNC(C(N)=O)C(C)C)c(C)nc2s1.
What is the InChIKey of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide?
The InChIKey is HOPXAMWFWSXNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7(2)11(12(14)18)15-5-10-9(4)16-13-17(10)6-8(3)19-13/h6-7,11,15H,5H2,1-4H3,(H2,14,18).
What are the key properties of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide?
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide has a molecular weight of 280.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 106344537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).