2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid

C12H15N3O3S — CID 79793246

IUPAC2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1cn2ccsc2n1)C(=O)O
InChIInChI=1S/C12H15N3O3S/c1-3-12(2,10(17)18)14-9(16)6-8-7-15-4-5-19-11(15)13-8/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWICAVVWXKFQZAF-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.31
Rot. Bonds5

About 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid

2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid (PubChem CID 79793246) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
PubChem CID79793246
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1cn2ccsc2n1)C(=O)O
InChIInChI=1S/C12H15N3O3S/c1-3-12(2,10(17)18)14-9(16)6-8-7-15-4-5-19-11(15)13-8/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWICAVVWXKFQZAF-UHFFFAOYSA-N
XLogP1.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 64555428
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
N-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 66179467
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanoic acid
CID 103974531
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 3445626
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 103839699
2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid
CID 113288980
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutanoic acid
CID 103974349

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid (CID 79793246) is 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)Cc1cn2ccsc2n1)C(=O)O.
What is the InChIKey of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid?
The InChIKey is WICAVVWXKFQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-12(2,10(17)18)14-9(16)6-8-7-15-4-5-19-11(15)13-8/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid?
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid has a molecular weight of 281.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79793246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).