methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate

C15H12ClN3O3S — CID 171704011

IUPACmethyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H12ClN3O3S/c1-22-15(21)11-4-5-23-14(11)18-13(20)6-10-8-19-7-9(16)2-3-12(19)17-10/h2-5,7-8H,6H2,1H3,(H,18,20)
InChIKeyCXFKROSDVFRIRD-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 171704011) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID171704011
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Namemethyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H12ClN3O3S/c1-22-15(21)11-4-5-23-14(11)18-13(20)6-10-8-19-7-9(16)2-3-12(19)17-10/h2-5,7-8H,6H2,1H3,(H,18,20)
InChIKeyCXFKROSDVFRIRD-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate (CID 171704011) is methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is CXFKROSDVFRIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-22-15(21)11-4-5-23-14(11)18-13(20)6-10-8-19-7-9(16)2-3-12(19)17-10/h2-5,7-8H,6H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 349.80 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 171704011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).