imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate

C12H11N3O2S2 — CID 115334073

IUPACimidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCc2cn3ccsc3n2)cc1N
InChIInChI=1S/C12H11N3O2S2/c1-7-9(13)4-10(19-7)11(16)17-6-8-5-15-2-3-18-12(15)14-8/h2-5H,6,13H2,1H3
InChIKeyYOIXDUBCNUFQQZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.70
Rot. Bonds3

About imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate

imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 115334073) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID115334073
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCc2cn3ccsc3n2)cc1N
InChIInChI=1S/C12H11N3O2S2/c1-7-9(13)4-10(19-7)11(16)17-6-8-5-15-2-3-18-12(15)14-8/h2-5H,6,13H2,1H3
InChIKeyYOIXDUBCNUFQQZ-UHFFFAOYSA-N
XLogP2.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
CID 104784225
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78851235
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate
CID 7683603
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-amino-3-chlorobenzoate
CID 79726580
pyrimidin-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 55108746
1,3-thiazol-5-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 112643735
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
CID 115334070
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanoic acid
CID 103974531
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651266

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate (CID 115334073) is imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCc2cn3ccsc3n2)cc1N.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is YOIXDUBCNUFQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-7-9(13)4-10(19-7)11(16)17-6-8-5-15-2-3-18-12(15)14-8/h2-5H,6,13H2,1H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate?
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.70, 3 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-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 115334073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).