3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one

C12H17N3OS — CID 116574100

IUPAC3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
SMILESCC(C)C(CN)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-8(2)10(6-13)11(16)5-9-7-15-3-4-17-12(15)14-9/h3-4,7-8,10H,5-6,13H2,1-2H3
InChIKeyQFRKGKSEFVNYAC-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.74
Rot. Bonds5

About 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one

3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one (PubChem CID 116574100) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
PubChem CID116574100
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
SMILESCC(C)C(CN)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-8(2)10(6-13)11(16)5-9-7-15-3-4-17-12(15)14-9/h3-4,7-8,10H,5-6,13H2,1-2H3
InChIKeyQFRKGKSEFVNYAC-UHFFFAOYSA-N
XLogP1.74
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-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

4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine
CID 115335482
3-amino-4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116593154
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
CID 115332453
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116591105
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817220

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one?
The IUPAC name of 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one (CID 116574100) is 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one?
The canonical SMILES for 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one is CC(C)C(CN)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one?
The InChIKey is QFRKGKSEFVNYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(2)10(6-13)11(16)5-9-7-15-3-4-17-12(15)14-9/h3-4,7-8,10H,5-6,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one?
3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one has a molecular weight of 251.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one is sourced from PubChem (CID 116574100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).