3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid

C10H12N2O3S — CID 107508384

IUPAC3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
SMILESCOCc1cn2c(CCC(=O)O)csc2n1
InChIInChI=1S/C10H12N2O3S/c1-15-5-7-4-12-8(2-3-9(13)14)6-16-10(12)11-7/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyAJXJGWXIBVVCBP-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.56
Rot. Bonds5

About 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid

3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid (PubChem CID 107508384) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
PubChem CID107508384
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
SMILESCOCc1cn2c(CCC(=O)O)csc2n1
InChIInChI=1S/C10H12N2O3S/c1-15-5-7-4-12-8(2-3-9(13)14)6-16-10(12)11-7/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyAJXJGWXIBVVCBP-UHFFFAOYSA-N
XLogP1.56
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 107508269
methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate
CID 81495197
3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
CID 113449070
3-methoxy-2-[[6-(phenoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid
CID 54242494
(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
CID 19010601
methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
CID 81494568
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate
CID 23462412
4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655201
4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655203
N-ethyl-N-(2-hydroxyethyl)-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 109468091
4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80661712

Frequently Asked Questions

What is the IUPAC name of 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
The IUPAC name of 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid (CID 107508384) is 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid is COCc1cn2c(CCC(=O)O)csc2n1.
What is the InChIKey of 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
The InChIKey is AJXJGWXIBVVCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-5-7-4-12-8(2-3-9(13)14)6-16-10(12)11-7/h4,6H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid?
3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid is sourced from PubChem (CID 107508384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).