2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid

C13H11N3O3S — CID 107076961

IUPAC2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
SMILESNc1ccc(OCc2cn3ccsc3n2)cc1C(=O)O
InChIInChI=1S/C13H11N3O3S/c14-11-2-1-9(5-10(11)12(17)18)19-7-8-6-16-3-4-20-13(16)15-8/h1-6H,7,14H2,(H,17,18)
InChIKeyICDDJKDDJOZABG-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid

2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid (PubChem CID 107076961) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
PubChem CID107076961
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
SMILESNc1ccc(OCc2cn3ccsc3n2)cc1C(=O)O
InChIInChI=1S/C13H11N3O3S/c14-11-2-1-9(5-10(11)12(17)18)19-7-8-6-16-3-4-20-13(16)15-8/h1-6H,7,14H2,(H,17,18)
InChIKeyICDDJKDDJOZABG-UHFFFAOYSA-N
XLogP2.26
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N'-hydroxy-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331979
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331977
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
CID 104784225
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 115332012
3,5-dichloro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)aniline
CID 115331203

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
The IUPAC name of 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid (CID 107076961) is 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid is Nc1ccc(OCc2cn3ccsc3n2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
The InChIKey is ICDDJKDDJOZABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-11-2-1-9(5-10(11)12(17)18)19-7-8-6-16-3-4-20-13(16)15-8/h1-6H,7,14H2,(H,17,18).
What are the key properties of 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid has a molecular weight of 289.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid is sourced from PubChem (CID 107076961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).