1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea

C7H9N5S — CID 119092645

IUPAC1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea
SMILESCN(/N=C/c1cnccn1)C(N)=S
InChIInChI=1S/C7H9N5S/c1-12(7(8)13)11-5-6-4-9-2-3-10-6/h2-5H,1H3,(H2,8,13)/b11-5+
InChIKeyODAGTMJHTBCTIS-VZUCSPMQSA-N
MW195.25 g/mol
LogP-0.01
Rot. Bonds2

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

1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea (PubChem CID 119092645) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea
PubChem CID119092645
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea
SMILESCN(/N=C/c1cnccn1)C(N)=S
InChIInChI=1S/C7H9N5S/c1-12(7(8)13)11-5-6-4-9-2-3-10-6/h2-5H,1H3,(H2,8,13)/b11-5+
InChIKeyODAGTMJHTBCTIS-VZUCSPMQSA-N
XLogP-0.01
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 5-0.01
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

1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 20832604
[(E)-pyrazin-2-ylmethylideneamino] acetate
CID 87078918
1-methyl-1-[(E)-thiophen-2-ylmethylideneamino]thiourea
CID 119086278
N-dimethylsilyloxy-1-pyrazin-2-ylmethanimine
CID 137330093
ethane;pyrazine-2-carbaldehyde
CID 145021385
2-hydroxy-3-pyrazin-2-ylprop-2-enamide
CID 149253820
2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol
CID 23569050
acetamide;pyrazin-2-amine
CID 175290934
tert-butyl 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoate
CID 58755191
N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel
CID 87860521
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-methylthiourea
CID 87674944
2-penta-1,3-dienylpyrazine
CID 141081856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea?
The IUPAC name of 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea (CID 119092645) is 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea?
The canonical SMILES for 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea is CN(/N=C/c1cnccn1)C(N)=S.
What is the InChIKey of 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea?
The InChIKey is ODAGTMJHTBCTIS-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12(7(8)13)11-5-6-4-9-2-3-10-6/h2-5H,1H3,(H2,8,13)/b11-5+.
What are the key properties of 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea?
1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea has a molecular weight of 195.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 119092645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).