N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide

C17H13ClN4O2S — CID 34438852

IUPACN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1cnccn1
InChIInChI=1S/C17H13ClN4O2S/c18-12-5-1-3-11-4-2-6-14(16(11)12)25-10-15(23)21-22-17(24)13-9-19-7-8-20-13/h1-9H,10H2,(H,21,23)(H,22,24)
InChIKeyGAGGXDZLNWZECJ-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.84
Rot. Bonds4

About N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide

N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide (PubChem CID 34438852) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide
PubChem CID34438852
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC NameN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1cnccn1
InChIInChI=1S/C17H13ClN4O2S/c18-12-5-1-3-11-4-2-6-14(16(11)12)25-10-15(23)21-22-17(24)13-9-19-7-8-20-13/h1-9H,10H2,(H,21,23)(H,22,24)
InChIKeyGAGGXDZLNWZECJ-UHFFFAOYSA-N
XLogP2.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
CID 2093520
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 9477026
N'-(2-naphthalen-1-ylacetyl)pyrazine-2-carbohydrazide
CID 24638040
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
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2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51144283
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
ethyl 2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 112794508

Frequently Asked Questions

What is the IUPAC name of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide (CID 34438852) is N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide is O=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide?
The InChIKey is GAGGXDZLNWZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c18-12-5-1-3-11-4-2-6-14(16(11)12)25-10-15(23)21-22-17(24)13-9-19-7-8-20-13/h1-9H,10H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide?
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide has a molecular weight of 372.84 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 34438852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).