1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea

C8H11N5S — CID 20832604

IUPAC1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
SMILESC/C(=N/N(C)C(N)=S)c1cnccn1
InChIInChI=1S/C8H11N5S/c1-6(12-13(2)8(9)14)7-5-10-3-4-11-7/h3-5H,1-2H3,(H2,9,14)/b12-6-
InChIKeyVKHNNVBPMOMBOS-SDQBBNPISA-N
MW209.28 g/mol
LogP0.38
Rot. Bonds2

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

1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea (PubChem CID 20832604) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
PubChem CID20832604
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
SMILESC/C(=N/N(C)C(N)=S)c1cnccn1
InChIInChI=1S/C8H11N5S/c1-6(12-13(2)8(9)14)7-5-10-3-4-11-7/h3-5H,1-2H3,(H2,9,14)/b12-6-
InChIKeyVKHNNVBPMOMBOS-SDQBBNPISA-N
XLogP0.38
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
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

[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375406
1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea
CID 119092645
1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375900
N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
CID 170856466
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
dichlorocopper;1-methyl-3-(1-pyrazin-2-ylethylideneamino)thiourea
CID 3005689
[2-(1-pyrazin-2-ylethylidene)hydrazinyl]methanethiol
CID 174674695
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346
N'-(1-pyridin-3-ylethylideneamino)pyrazine-2-carboximidamide
CID 3442008
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
The IUPAC name of 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea (CID 20832604) is 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea.
What is the SMILES notation for 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
The canonical SMILES for 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea is C/C(=N/N(C)C(N)=S)c1cnccn1.
What is the InChIKey of 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
The InChIKey is VKHNNVBPMOMBOS-SDQBBNPISA-N. The full InChI is InChI=1S/C8H11N5S/c1-6(12-13(2)8(9)14)7-5-10-3-4-11-7/h3-5H,1-2H3,(H2,9,14)/b12-6-.
What are the key properties of 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea?
1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea has a molecular weight of 209.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea is sourced from PubChem (CID 20832604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).