N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide

C10H14N6OS — CID 10445629

IUPACN-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
SMILESN/C(=N/NC(=S)N1CCOCC1)c1cnccn1
InChIInChI=1S/C10H14N6OS/c11-9(8-7-12-1-2-13-8)14-15-10(18)16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H2,11,14)(H,15,18)
InChIKeyXCJHLQIFVXKTDB-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.70
Rot. Bonds2

About N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide

N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide (PubChem CID 10445629) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
PubChem CID10445629
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC NameN-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
SMILESN/C(=N/NC(=S)N1CCOCC1)c1cnccn1
InChIInChI=1S/C10H14N6OS/c11-9(8-7-12-1-2-13-8)14-15-10(18)16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H2,11,14)(H,15,18)
InChIKeyXCJHLQIFVXKTDB-UHFFFAOYSA-N
XLogP-0.70
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N'-(2-morpholin-4-ylethyl)pyrazine-2-carboximidamide
CID 71568915
2,6-dimethyl-N-[(E)-1-pyrazin-2-ylethylideneamino]morpholine-4-carbothioamide
CID 9601359
morpholine-4-carbothioic acid N'-[amino(6-chloropyrazin-2-yl)methylene]hydrazide
CID 3856178
morpholine-4-carbothioic acid N'-[amino(6-morpholinopyrazin-2-yl)methylene]hydrazide
CID 85432412
2-Methyl-4-morpholino-5-pyrazin-2-yl-1,2,4-triazole-3-thione
CID 71593430
2,6-dimethyl-N-(1-pyrazin-2-ylethylideneamino)morpholine-4-carbothioamide
CID 4376822
N-[(E)-[amino-(6-chloropyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
CID 5940741
N-[(Z)-[amino-(6-chloropyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
CID 9639084
N-[(E)-[amino-(6-methoxypyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
CID 10266576
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
CID 10378242
methyl N-[(E)-[amino-(6-morpholin-4-ylpyrazin-2-yl)methylidene]amino]carbamodithioate
CID 11186047
N-[(E)-[amino-(6-morpholin-4-ylpyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
CID 11198928

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
The IUPAC name of N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide (CID 10445629) is N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide.
What is the SMILES notation for N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
The canonical SMILES for N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide is N/C(=N/NC(=S)N1CCOCC1)c1cnccn1.
What is the InChIKey of N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
The InChIKey is XCJHLQIFVXKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c11-9(8-7-12-1-2-13-8)14-15-10(18)16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H2,11,14)(H,15,18).
What are the key properties of N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide has a molecular weight of 266.33 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide is sourced from PubChem (CID 10445629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).