4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

C11H14N2O3S — CID 107508269

IUPAC4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESCOCc1cn2c(CCCC(=O)O)csc2n1
InChIInChI=1S/C11H14N2O3S/c1-16-6-8-5-13-9(3-2-4-10(14)15)7-17-11(13)12-8/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyKEPQCWZUBNTRFX-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.95
Rot. Bonds6

About 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (PubChem CID 107508269) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
PubChem CID107508269
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESCOCc1cn2c(CCCC(=O)O)csc2n1
InChIInChI=1S/C11H14N2O3S/c1-16-6-8-5-13-9(3-2-4-10(14)15)7-17-11(13)12-8/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyKEPQCWZUBNTRFX-UHFFFAOYSA-N
XLogP1.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80661515
Methyl 4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoate
CID 80662111
3-(6-Methylimidazo[2,1-b]thiazol-3-yl)propanoic acid
CID 52904010
3-Methyl-6-butyroxymethyl-imidazo-(2,1-b)thiazole hydrochloride
CID 23462411
Ethyl 3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)propanoate
CID 13789783
(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate
CID 23462412
Methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate
CID 80661510
4-(6-Propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
CID 80661512
Methyl 4-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate
CID 80661607
4-(5-Chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
CID 80661610
4-(5,6-Dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
CID 80661611
Methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate
CID 80661808

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The IUPAC name of 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (CID 107508269) is 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The canonical SMILES for 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is COCc1cn2c(CCCC(=O)O)csc2n1.
What is the InChIKey of 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The InChIKey is KEPQCWZUBNTRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-6-8-5-13-9(3-2-4-10(14)15)7-17-11(13)12-8/h5,7H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid has a molecular weight of 254.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is sourced from PubChem (CID 107508269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).