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

C12H18N4OS — CID 43770345

IUPACN-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C12H18N4OS/c1-8-7-18-12-15-9(2)11(16(8)12)6-13-4-5-14-10(3)17/h7,13H,4-6H2,1-3H3,(H,14,17)
InChIKeyMQYVQZZVWQMZTJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.24
Rot. Bonds5

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

N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide (PubChem CID 43770345) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
PubChem CID43770345
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C12H18N4OS/c1-8-7-18-12-15-9(2)11(16(8)12)6-13-4-5-14-10(3)17/h7,13H,4-6H2,1-3H3,(H,14,17)
InChIKeyMQYVQZZVWQMZTJ-UHFFFAOYSA-N
XLogP1.24
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-propylacetamide
CID 43777779
2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
CID 82364436
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43769657
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N,N-dimethylacetamide
CID 43775364
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770874
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
CID 60976809
1-[[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 65106924

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide (CID 43770345) is N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1c(C)nc2scc(C)n12.
What is the InChIKey of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide?
The InChIKey is MQYVQZZVWQMZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-7-18-12-15-9(2)11(16(8)12)6-13-4-5-14-10(3)17/h7,13H,4-6H2,1-3H3,(H,14,17).
What are the key properties of N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide?
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 43770345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).