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

C17H12N4OS — CID 122285068

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccsc1
InChIInChI=1S/C17H12N4OS/c22-16(13-5-8-23-11-13)19-14-4-1-3-12(9-14)15-10-21-7-2-6-18-17(21)20-15/h1-11H,(H,19,22)
InChIKeyLDCSIZCOGAGYAO-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.71
Rot. Bonds3

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

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide (PubChem CID 122285068) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide
PubChem CID122285068
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccsc1
InChIInChI=1S/C17H12N4OS/c22-16(13-5-8-23-11-13)19-14-4-1-3-12(9-14)15-10-21-7-2-6-18-17(21)20-15/h1-11H,(H,19,22)
InChIKeyLDCSIZCOGAGYAO-UHFFFAOYSA-N
XLogP3.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-3-carboxamide
CID 122285141
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)quinoline-2-carboxamide
CID 122285084
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285165
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122285119
2-cyclopropyl-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285150
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 121033128

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide (CID 122285068) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide is O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccsc1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide?
The InChIKey is LDCSIZCOGAGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-16(13-5-8-23-11-13)19-14-4-1-3-12(9-14)15-10-21-7-2-6-18-17(21)20-15/h1-11H,(H,19,22).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 122285068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).