1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea

C10H17N5S — CID 20557621

IUPAC1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea
SMILESCNC(=S)NCCNCCc1cnccn1
InChIInChI=1S/C10H17N5S/c1-11-10(16)15-7-4-12-3-2-9-8-13-5-6-14-9/h5-6,8,12H,2-4,7H2,1H3,(H2,11,15,16)
InChIKeyRUPVRANMJWVBFA-UHFFFAOYSA-N
MW239.35 g/mol
LogP-0.30
Rot. Bonds6

About 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea

1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea (PubChem CID 20557621) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea
PubChem CID20557621
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea
SMILESCNC(=S)NCCNCCc1cnccn1
InChIInChI=1S/C10H17N5S/c1-11-10(16)15-7-4-12-3-2-9-8-13-5-6-14-9/h5-6,8,12H,2-4,7H2,1H3,(H2,11,15,16)
InChIKeyRUPVRANMJWVBFA-UHFFFAOYSA-N
XLogP-0.30
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea (CID 20557621) is 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea is CNC(=S)NCCNCCc1cnccn1.
What is the InChIKey of 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea?
The InChIKey is RUPVRANMJWVBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-11-10(16)15-7-4-12-3-2-9-8-13-5-6-14-9/h5-6,8,12H,2-4,7H2,1H3,(H2,11,15,16).
What are the key properties of 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea?
1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea has a molecular weight of 239.35 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea is sourced from PubChem (CID 20557621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).