2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid

C12H16N4O3S — CID 82364436

IUPAC2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
SMILESCc1nc2scc(C)n2c1CNCC(=O)NCC(=O)O
InChIInChI=1S/C12H16N4O3S/c1-7-6-20-12-15-8(2)9(16(7)12)3-13-4-10(17)14-5-11(18)19/h6,13H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNCPVOAFYWBETNW-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.30
Rot. Bonds6

About 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid

2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid (PubChem CID 82364436) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
PubChem CID82364436
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
SMILESCc1nc2scc(C)n2c1CNCC(=O)NCC(=O)O
InChIInChI=1S/C12H16N4O3S/c1-7-6-20-12-15-8(2)9(16(7)12)3-13-4-10(17)14-5-11(18)19/h6,13H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNCPVOAFYWBETNW-UHFFFAOYSA-N
XLogP0.30
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-propylacetamide
CID 43777779
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N,N-dimethylacetamide
CID 43775364
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid
CID 82364475
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]methyl]cyclohexan-1-ol
CID 65106924
N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758883
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]-2-phenylsulfanylethanamine
CID 60976809

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid (CID 82364436) is 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid is Cc1nc2scc(C)n2c1CNCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid?
The InChIKey is NCPVOAFYWBETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-6-20-12-15-8(2)9(16(7)12)3-13-4-10(17)14-5-11(18)19/h6,13H,3-5H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid?
2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid has a molecular weight of 296.35 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 82364436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).