N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide

C18H14N4OS — CID 6462583

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1
InChIInChI=1S/C18H14N4OS/c1-12-5-6-13(15-11-22-8-3-7-19-18(22)21-15)10-14(12)20-17(23)16-4-2-9-24-16/h2-11H,1H3,(H,20,23)
InChIKeyKTRIAPGQNXVGQN-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.02
Rot. Bonds3

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 6462583) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide
PubChem CID6462583
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1
InChIInChI=1S/C18H14N4OS/c1-12-5-6-13(15-11-22-8-3-7-19-18(22)21-15)10-14(12)20-17(23)16-4-2-9-24-16/h2-11H,1H3,(H,20,23)
InChIKeyKTRIAPGQNXVGQN-UHFFFAOYSA-N
XLogP4.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

HI-Topk-032
CID 1936439
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
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
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-cyanopyridin-4-yl)thiophene-2-carboxamide
CID 25190540
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-cyanopyridin-3-yl)thiophene-2-carboxamide
CID 25190542
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide (CID 6462583) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is KTRIAPGQNXVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-5-6-13(15-11-22-8-3-7-19-18(22)21-15)10-14(12)20-17(23)16-4-2-9-24-16/h2-11H,1H3,(H,20,23).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 6462583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).