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

C10H13N3O2S — CID 115332453

IUPAC2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cn2ccsc2n1
InChIInChI=1S/C10H13N3O2S/c1-7(9(14)15)12(2)5-8-6-13-3-4-16-10(13)11-8/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyBWKSXASRAGRKDD-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.30
Rot. Bonds4

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

2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid (PubChem CID 115332453) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
PubChem CID115332453
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cn2ccsc2n1
InChIInChI=1S/C10H13N3O2S/c1-7(9(14)15)12(2)5-8-6-13-3-4-16-10(13)11-8/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyBWKSXASRAGRKDD-UHFFFAOYSA-N
XLogP1.30
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 115332443
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
2-[ethyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]-2-methylpropanoic acid
CID 113288980
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol
CID 113289297
N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 115334525
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340
3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
CID 116574100
(2R)-2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid
CID 51674828
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride
CID 53444457

Frequently Asked Questions

What is the IUPAC name of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid (CID 115332453) is 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid is CC(C(=O)O)N(C)Cc1cn2ccsc2n1.
What is the InChIKey of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid?
The InChIKey is BWKSXASRAGRKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7(9(14)15)12(2)5-8-6-13-3-4-16-10(13)11-8/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid?
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid has a molecular weight of 239.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid is sourced from PubChem (CID 115332453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).