7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C16H14N4O3S — CID 58465842

IUPAC7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NO)c1cn2c(n1)CN(C(=O)c1cc3ccccc3s1)CC2
InChIInChI=1S/C16H14N4O3S/c21-15(18-23)11-8-19-5-6-20(9-14(19)17-11)16(22)13-7-10-3-1-2-4-12(10)24-13/h1-4,7-8,23H,5-6,9H2,(H,18,21)
InChIKeyGBJSJGWUCWJYTR-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.87
Rot. Bonds2

About 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 58465842) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID58465842
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NO)c1cn2c(n1)CN(C(=O)c1cc3ccccc3s1)CC2
InChIInChI=1S/C16H14N4O3S/c21-15(18-23)11-8-19-5-6-20(9-14(19)17-11)16(22)13-7-10-3-1-2-4-12(10)24-13/h1-4,7-8,23H,5-6,9H2,(H,18,21)
InChIKeyGBJSJGWUCWJYTR-UHFFFAOYSA-N
XLogP1.87
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 58465842) is 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is O=C(NO)c1cn2c(n1)CN(C(=O)c1cc3ccccc3s1)CC2.
What is the InChIKey of 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is GBJSJGWUCWJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-15(18-23)11-8-19-5-6-20(9-14(19)17-11)16(22)13-7-10-3-1-2-4-12(10)24-13/h1-4,7-8,23H,5-6,9H2,(H,18,21).
What are the key properties of 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophene-2-carbonyl)-N-hydroxy-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 58465842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).