1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea

C10H16N4S2 — CID 20557719

IUPAC1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea
SMILESCNC(=S)NCCCSCc1cnccn1
InChIInChI=1S/C10H16N4S2/c1-11-10(15)14-3-2-6-16-8-9-7-12-4-5-13-9/h4-5,7H,2-3,6,8H2,1H3,(H2,11,14,15)
InChIKeyGBPOYMXIJKFACP-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.19
Rot. Bonds6

About 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea

1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea (PubChem CID 20557719) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea
PubChem CID20557719
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC Name1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea
SMILESCNC(=S)NCCCSCc1cnccn1
InChIInChI=1S/C10H16N4S2/c1-11-10(15)14-3-2-6-16-8-9-7-12-4-5-13-9/h4-5,7H,2-3,6,8H2,1H3,(H2,11,14,15)
InChIKeyGBPOYMXIJKFACP-UHFFFAOYSA-N
XLogP1.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.19
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'}

Analyze 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-Aminoethyl)thiomethyl]pyrazine
CID 12923413
1-Methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea
CID 20557615
1-Ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea
CID 20557616
1-Methyl-3-[2-(2-pyrazin-2-ylethylamino)ethyl]thiourea
CID 20557621
1-Methyl-3-[2-(2-pyrazin-2-ylethylsulfanyl)ethyl]thiourea
CID 20557623
1-Methyl-3-[2-[(5-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea
CID 20557741
1-[2-[(3-Aminopyrazin-2-yl)methylsulfanyl]ethyl]-3-methylthiourea
CID 20557791
2-[(2-Aminoethyl)thiomethyl]pyrazine hydrochloride
CID 20557804
N-Methyl-N'-[2-((2-pyrazinyl)methylthio)ethyl]urea
CID 20557808
2-(Pyrazin-2-ylmethylsulfanyl)ethylthiourea
CID 20557809
1-Methyl-3-[2-[(5-methylpyrazin-2-yl)methylamino]ethyl]thiourea
CID 20557816
1-[2-(Dimethylamino)ethyl]-3-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea
CID 20557824

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea?
The IUPAC name of 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea (CID 20557719) is 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea.
What is the SMILES notation for 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea?
The canonical SMILES for 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea is CNC(=S)NCCCSCc1cnccn1.
What is the InChIKey of 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea?
The InChIKey is GBPOYMXIJKFACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c1-11-10(15)14-3-2-6-16-8-9-7-12-4-5-13-9/h4-5,7H,2-3,6,8H2,1H3,(H2,11,14,15).
What are the key properties of 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea?
1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea has a molecular weight of 256.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea is sourced from PubChem (CID 20557719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).