1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea

C10H16N4S2 — CID 20557615

IUPAC1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea
SMILESCNC(=S)NCCSCc1nccnc1C
InChIInChI=1S/C10H16N4S2/c1-8-9(13-4-3-12-8)7-16-6-5-14-10(15)11-2/h3-4H,5-7H2,1-2H3,(H2,11,14,15)
InChIKeyRDIOXURGXFFHFJ-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.11
Rot. Bonds5

About 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea

1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea (PubChem CID 20557615) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea
PubChem CID20557615
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC Name1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea
SMILESCNC(=S)NCCSCc1nccnc1C
InChIInChI=1S/C10H16N4S2/c1-8-9(13-4-3-12-8)7-16-6-5-14-10(15)11-2/h3-4H,5-7H2,1-2H3,(H2,11,14,15)
InChIKeyRDIOXURGXFFHFJ-UHFFFAOYSA-N
XLogP1.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
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-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea (CID 20557615) is 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea is CNC(=S)NCCSCc1nccnc1C.
What is the InChIKey of 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea?
The InChIKey is RDIOXURGXFFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c1-8-9(13-4-3-12-8)7-16-6-5-14-10(15)11-2/h3-4H,5-7H2,1-2H3,(H2,11,14,15).
What are the key properties of 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea?
1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea has a molecular weight of 256.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea is sourced from PubChem (CID 20557615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).