N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide

C11H12ClN5OS — CID 107377674

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(NN)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN5OS/c1-6(8-2-3-9(12)19-8)16-11(18)7-4-15-10(17-13)5-14-7/h2-6H,13H2,1H3,(H,15,17)(H,16,18)
InChIKeyNHVLXMKVZBKKMO-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107377674) has the molecular formula C11H12ClN5OS and a molecular weight of 297.77 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107377674
Molecular FormulaC11H12ClN5OS
Molecular Weight297.77 g/mol
Exact Mass297.05
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(NN)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN5OS/c1-6(8-2-3-9(12)19-8)16-11(18)7-4-15-10(17-13)5-14-7/h2-6H,13H2,1H3,(H,15,17)(H,16,18)
InChIKeyNHVLXMKVZBKKMO-UHFFFAOYSA-N
XLogP1.97
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682
5-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107378186
N-[1-(furan-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378104
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 114139758
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 94034384
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378513
5-hydrazinyl-N-(3-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107377765
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide (CID 107377674) is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide is CC(NC(=O)c1cnc(NN)cn1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is NHVLXMKVZBKKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5OS/c1-6(8-2-3-9(12)19-8)16-11(18)7-4-15-10(17-13)5-14-7/h2-6H,13H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 297.77 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107377674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).