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

C11H12ClN5OS — CID 114139758

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCCc2ccc(Cl)s2)cn1
InChIInChI=1S/C11H12ClN5OS/c12-9-2-1-7(19-9)3-4-14-11(18)8-5-16-10(17-13)6-15-8/h1-2,5-6H,3-4,13H2,(H,14,18)(H,16,17)
InChIKeyVGYNCTLWSSBOQA-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.45
Rot. Bonds5

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 114139758) has the molecular formula C11H12ClN5OS and a molecular weight of 297.77 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
PubChem CID114139758
Molecular FormulaC11H12ClN5OS
Molecular Weight297.77 g/mol
Exact Mass297.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCCc2ccc(Cl)s2)cn1
InChIInChI=1S/C11H12ClN5OS/c12-9-2-1-7(19-9)3-4-14-11(18)8-5-16-10(17-13)6-15-8/h1-2,5-6H,3-4,13H2,(H,14,18)(H,16,17)
InChIKeyVGYNCTLWSSBOQA-UHFFFAOYSA-N
XLogP1.45
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.45
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

N-(2-fluoroethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 130504959
N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378352
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377674
5-hydrazinyl-N-[2-(1H-imidazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 107378673
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 113236231
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 106050291
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide (CID 114139758) is N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide is NNc1cnc(C(=O)NCCc2ccc(Cl)s2)cn1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is VGYNCTLWSSBOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5OS/c12-9-2-1-7(19-9)3-4-14-11(18)8-5-16-10(17-13)6-15-8/h1-2,5-6H,3-4,13H2,(H,14,18)(H,16,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 297.77 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 114139758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).