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

C17H12N4OS — CID 7080190

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccs1
InChIInChI=1S/C17H12N4OS/c22-16(15-6-2-9-23-15)19-13-5-1-4-12(10-13)14-11-21-8-3-7-18-17(21)20-14/h1-11H,(H,19,22)
InChIKeyNHFRDETWUNEHQO-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.71
Rot. Bonds3

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

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 7080190) 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-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide
PubChem CID7080190
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccs1
InChIInChI=1S/C17H12N4OS/c22-16(15-6-2-9-23-15)19-13-5-1-4-12(10-13)14-11-21-8-3-7-18-17(21)20-14/h1-11H,(H,19,22)
InChIKeyNHFRDETWUNEHQO-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

HI-Topk-032
CID 1936439
4-chloro-N-(2-(2-thienyl)imidazo(1,2-a)pyridin-3-yl)benzamide
CID 979718
(4-(4-(Benzo(b)thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 9549298
N-hydroxy-5-((3-phenyl-5,6-dihydroimidazo(1,2-a)pyrazin-7(8H)-yl)carbonyl)thiophene-2-carboxamide
CID 24836811
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzamide
CID 20823952
2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}carbonyl)thiophen-2-yl]ethan-1-one
CID 25023802
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide (CID 7080190) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccs1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is NHFRDETWUNEHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c22-16(15-6-2-9-23-15)19-13-5-1-4-12(10-13)14-11-21-8-3-7-18-17(21)20-14/h1-11H,(H,19,22).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-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-2-carboxamide is sourced from PubChem (CID 7080190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).