imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate

C14H13N3O3S — CID 104784225

IUPACimidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cn3ccsc3n2)ccc1N
InChIInChI=1S/C14H13N3O3S/c1-19-12-6-9(2-3-11(12)15)13(18)20-8-10-7-17-4-5-21-14(17)16-10/h2-7H,8,15H2,1H3
InChIKeyOYQRMSKUXGAOAU-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.34
Rot. Bonds4

About imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate

imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate (PubChem CID 104784225) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
PubChem CID104784225
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2cn3ccsc3n2)ccc1N
InChIInChI=1S/C14H13N3O3S/c1-19-12-6-9(2-3-11(12)15)13(18)20-8-10-7-17-4-5-21-14(17)16-10/h2-7H,8,15H2,1H3
InChIKeyOYQRMSKUXGAOAU-UHFFFAOYSA-N
XLogP2.34
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 115334073
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
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)-3-methoxyphenyl]ethanol
CID 115332161
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-amino-3-chlorobenzoate
CID 79726580
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 52563386
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide
CID 103567303
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde
CID 115331924
[2-(4-methoxyphenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3595564

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate (CID 104784225) is imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate is COc1cc(C(=O)OCc2cn3ccsc3n2)ccc1N.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate?
The InChIKey is OYQRMSKUXGAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-19-12-6-9(2-3-11(12)15)13(18)20-8-10-7-17-4-5-21-14(17)16-10/h2-7H,8,15H2,1H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate?
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate has a molecular weight of 303.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate is sourced from PubChem (CID 104784225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).