1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea

C8H11N5S — CID 5375900

IUPAC1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
SMILESCNC(=S)N/N=C(\C)c1cnccn1
InChIInChI=1S/C8H11N5S/c1-6(12-13-8(14)9-2)7-5-10-3-4-11-7/h3-5H,1-2H3,(H2,9,13,14)/b12-6+
InChIKeyGLPQYBREVOHZTO-WUXMJOGZSA-N
MW209.28 g/mol
LogP0.29
Rot. Bonds2

About 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea

1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea (PubChem CID 5375900) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
PubChem CID5375900
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
SMILESCNC(=S)N/N=C(\C)c1cnccn1
InChIInChI=1S/C8H11N5S/c1-6(12-13-8(14)9-2)7-5-10-3-4-11-7/h3-5H,1-2H3,(H2,9,13,14)/b12-6+
InChIKeyGLPQYBREVOHZTO-WUXMJOGZSA-N
XLogP0.29
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
CID 3005689
[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375406
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
iron(3+);bis(N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate);chloride
CID 25154736
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
CID 174674695
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 20832604
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
1-methyl-3-[(E)-1-[3-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 139163904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea?
The IUPAC name of 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea (CID 5375900) is 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea.
What is the SMILES notation for 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea?
The canonical SMILES for 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea is CNC(=S)N/N=C(\C)c1cnccn1.
What is the InChIKey of 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea?
The InChIKey is GLPQYBREVOHZTO-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6(12-13-8(14)9-2)7-5-10-3-4-11-7/h3-5H,1-2H3,(H2,9,13,14)/b12-6+.
What are the key properties of 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea?
1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea has a molecular weight of 209.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea is sourced from PubChem (CID 5375900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).