methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate

C7H6N2O2S — CID 115384484

IUPACmethyl imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2ccnc2s1
InChIInChI=1S/C7H6N2O2S/c1-11-6(10)5-4-9-3-2-8-7(9)12-5/h2-4H,1H3
InChIKeyCTUTYJPDHWNMRT-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.18
Rot. Bonds1

About methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 115384484) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID115384484
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Namemethyl imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2ccnc2s1
InChIInChI=1S/C7H6N2O2S/c1-11-6(10)5-4-9-3-2-8-7(9)12-5/h2-4H,1H3
InChIKeyCTUTYJPDHWNMRT-UHFFFAOYSA-N
XLogP1.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 115384484) is methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate is COC(=O)c1cn2ccnc2s1.
What is the InChIKey of methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is CTUTYJPDHWNMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-11-6(10)5-4-9-3-2-8-7(9)12-5/h2-4H,1H3.
What are the key properties of methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 182.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 115384484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).