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

C11H15N3O2S — CID 115332443

IUPAC3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)Cc1cn2ccsc2n1)C(=O)O
InChIInChI=1S/C11H15N3O2S/c1-8(10(15)16)5-13(2)6-9-7-14-3-4-17-11(14)12-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyYNXPDFXVNWOGDU-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.55
Rot. Bonds5

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

3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 115332443) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
PubChem CID115332443
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)Cc1cn2ccsc2n1)C(=O)O
InChIInChI=1S/C11H15N3O2S/c1-8(10(15)16)5-13(2)6-9-7-14-3-4-17-11(14)12-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyYNXPDFXVNWOGDU-UHFFFAOYSA-N
XLogP1.55
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.55
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
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
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
2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398119
N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 115334525
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554
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-ylpentan-2-one
CID 116556049

Frequently Asked Questions

What is the IUPAC name of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid (CID 115332443) is 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid is CC(CN(C)Cc1cn2ccsc2n1)C(=O)O.
What is the InChIKey of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is YNXPDFXVNWOGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8(10(15)16)5-13(2)6-9-7-14-3-4-17-11(14)12-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid?
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 253.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 115332443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).