1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea

C10H16N4S2 — CID 20557616

IUPAC1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea
SMILESCCN(CCSCc1cnccn1)C(N)=S
InChIInChI=1S/C10H16N4S2/c1-2-14(10(11)15)5-6-16-8-9-7-12-3-4-13-9/h3-4,7H,2,5-6,8H2,1H3,(H2,11,15)
InChIKeyNVPHIYFDEFMYFP-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.28
Rot. Bonds6

About 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea

1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea (PubChem CID 20557616) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea.

Molecular Properties

Compound Name1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea
PubChem CID20557616
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC Name1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea
SMILESCCN(CCSCc1cnccn1)C(N)=S
InChIInChI=1S/C10H16N4S2/c1-2-14(10(11)15)5-6-16-8-9-7-12-3-4-13-9/h3-4,7H,2,5-6,8H2,1H3,(H2,11,15)
InChIKeyNVPHIYFDEFMYFP-UHFFFAOYSA-N
XLogP1.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
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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Related Compounds

1-Methyl-3-[2-[(3-methylpyrazin-2-yl)methylsulfanyl]ethyl]thiourea
CID 20557615
1-Methyl-3-[2-(2-pyrazin-2-ylethylsulfanyl)ethyl]thiourea
CID 20557623
1-Methyl-3-[3-(pyrazin-2-ylmethylsulfanyl)propyl]thiourea
CID 20557719
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-(Pyrazin-2-ylmethylsulfanyl)ethylthiourea
CID 20557809
1-[2-(Dimethylamino)ethyl]-3-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea
CID 20557824
1-[2-[(3,6-Dimethylpyrazin-2-yl)methylsulfanyl]ethyl]-3-methylthiourea
CID 20557920
1-[2-[(3-Chloropyrazin-2-yl)methylsulfanyl]ethyl]-3-methylthiourea
CID 20557924
1-[2-[(3-Chloro-5-methylpyrazin-2-yl)methylsulfanyl]ethyl]-3-methylthiourea
CID 20557925
N-Methyl-N'-(2-{[(pyrazin-2-yl)methyl]sulfanyl}ethyl)thiourea
CID 20557940
2-cyano-1-[2-[[3-[2-[(N'-cyanocarbamimidoyl)-methylamino]ethylsulfanylmethyl]pyrazin-2-yl]methylsulfanyl]ethyl]-1-methylguanidine
CID 20567426

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea?
The IUPAC name of 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea (CID 20557616) is 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea.
What is the SMILES notation for 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea?
The canonical SMILES for 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea is CCN(CCSCc1cnccn1)C(N)=S.
What is the InChIKey of 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea?
The InChIKey is NVPHIYFDEFMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c1-2-14(10(11)15)5-6-16-8-9-7-12-3-4-13-9/h3-4,7H,2,5-6,8H2,1H3,(H2,11,15).
What are the key properties of 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea?
1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea has a molecular weight of 256.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea is sourced from PubChem (CID 20557616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).