methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate

C13H9ClN2O2S — CID 165492506

IUPACmethyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCOC(=O)c1nc2scc(-c3ccccc3)n2c1Cl
InChIInChI=1S/C13H9ClN2O2S/c1-18-12(17)10-11(14)16-9(7-19-13(16)15-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyBXZUCWURUSDHOG-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.50
Rot. Bonds2

About methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate

methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate (PubChem CID 165492506) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
PubChem CID165492506
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Namemethyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCOC(=O)c1nc2scc(-c3ccccc3)n2c1Cl
InChIInChI=1S/C13H9ClN2O2S/c1-18-12(17)10-11(14)16-9(7-19-13(16)15-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyBXZUCWURUSDHOG-UHFFFAOYSA-N
XLogP3.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The IUPAC name of methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate (CID 165492506) is methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The canonical SMILES for methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate is COC(=O)c1nc2scc(-c3ccccc3)n2c1Cl.
What is the InChIKey of methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The InChIKey is BXZUCWURUSDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-18-12(17)10-11(14)16-9(7-19-13(16)15-10)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate has a molecular weight of 292.75 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 165492506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).