imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate

C11H11N5O2S — CID 115334070

IUPACimidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2cn3ccsc3n2)c1
InChIInChI=1S/C11H11N5O2S/c12-8-3-13-16(4-8)6-10(17)18-7-9-5-15-1-2-19-11(15)14-9/h1-5H,6-7,12H2
InChIKeyJOEIPZYZQISWQL-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.92
Rot. Bonds4

About imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate

imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 115334070) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID115334070
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2cn3ccsc3n2)c1
InChIInChI=1S/C11H11N5O2S/c12-8-3-13-16(4-8)6-10(17)18-7-9-5-15-1-2-19-11(15)14-9/h1-5H,6-7,12H2
InChIKeyJOEIPZYZQISWQL-UHFFFAOYSA-N
XLogP0.92
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 115334073
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
3,5-dichloro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)aniline
CID 115331203
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-amino-3-chlorobenzoate
CID 79726580
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
CID 104784225
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanoic acid
CID 103974531

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate (CID 115334070) is imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate is Nc1cnn(CC(=O)OCc2cn3ccsc3n2)c1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is JOEIPZYZQISWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-8-3-13-16(4-8)6-10(17)18-7-9-5-15-1-2-19-11(15)14-9/h1-5H,6-7,12H2.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate?
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 277.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 115334070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).