2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid

C12H17N3O2S — CID 113288980

IUPAC2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid
SMILESCCN(Cc1cn2ccsc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O2S/c1-4-15(12(2,3)10(16)17)8-9-7-14-5-6-18-11(14)13-9/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyBNLJNZRHNJPTJJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.08
Rot. Bonds5

About 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid

2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid (PubChem CID 113288980) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid
PubChem CID113288980
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid
SMILESCCN(Cc1cn2ccsc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O2S/c1-4-15(12(2,3)10(16)17)8-9-7-14-5-6-18-11(14)13-9/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyBNLJNZRHNJPTJJ-UHFFFAOYSA-N
XLogP2.08
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
CID 115332453
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
CID 79793246
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 115332443
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanoic acid
CID 103974531
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylbutanoic acid
CID 115332527
N-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332601
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutanoic acid
CID 103974349
ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
CID 61012930
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylcarbamoylamino)propanoic acid
CID 115331403
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(propyl)amino]ethanethioamide
CID 115331844

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid (CID 113288980) is 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid is CCN(Cc1cn2ccsc2n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid?
The InChIKey is BNLJNZRHNJPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-15(12(2,3)10(16)17)8-9-7-14-5-6-18-11(14)13-9/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid?
2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid has a molecular weight of 267.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 113288980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).