N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide

C18H13N3OS — CID 847156

IUPACN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccs1
InChIInChI=1S/C18H13N3OS/c22-18(16-7-4-10-23-16)19-14-6-3-5-13(11-14)15-12-21-9-2-1-8-17(21)20-15/h1-12H,(H,19,22)
InChIKeyXQIJAQCPQZJREU-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.32
Rot. Bonds3

About N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide

N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 847156) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
PubChem CID847156
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccs1
InChIInChI=1S/C18H13N3OS/c22-18(16-7-4-10-23-16)19-14-6-3-5-13(11-14)15-12-21-9-2-1-8-17(21)20-15/h1-12H,(H,19,22)
InChIKeyXQIJAQCPQZJREU-UHFFFAOYSA-N
XLogP4.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide (CID 847156) is N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccs1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is XQIJAQCPQZJREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c22-18(16-7-4-10-23-16)19-14-6-3-5-13(11-14)15-12-21-9-2-1-8-17(21)20-15/h1-12H,(H,19,22).
What are the key properties of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 847156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).