3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide

C11H18N4O2S — CID 62684960

IUPAC3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
SMILESCOCCN(CCOC)c1nccnc1C(N)=S
InChIInChI=1S/C11H18N4O2S/c1-16-7-5-15(6-8-17-2)11-9(10(12)18)13-3-4-14-11/h3-4H,5-8H2,1-2H3,(H2,12,18)
InChIKeyBXCBLXPOSXXLEI-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.21
Rot. Bonds8

About 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide

3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide (PubChem CID 62684960) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
PubChem CID62684960
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
SMILESCOCCN(CCOC)c1nccnc1C(N)=S
InChIInChI=1S/C11H18N4O2S/c1-16-7-5-15(6-8-17-2)11-9(10(12)18)13-3-4-14-11/h3-4H,5-8H2,1-2H3,(H2,12,18)
InChIKeyBXCBLXPOSXXLEI-UHFFFAOYSA-N
XLogP0.21
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(dipropylamino)pyrazine-2-carbothioamide
CID 62685111
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide
CID 137000488
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
CID 62684039
methyl 2-[(3-carbamothioylpyrazin-2-yl)-propylamino]acetate
CID 55102898
methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155
2-[(3-carbamothioylpyrazin-2-yl)-ethylamino]acetamide
CID 103102572
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 55172286
3-[cyclopropylmethyl(propyl)amino]pyrazine-2-carbothioamide
CID 55103092
3-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 55128366
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide (CID 62684960) is 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide is COCCN(CCOC)c1nccnc1C(N)=S.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
The InChIKey is BXCBLXPOSXXLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-16-7-5-15(6-8-17-2)11-9(10(12)18)13-3-4-14-11/h3-4H,5-8H2,1-2H3,(H2,12,18).
What are the key properties of 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide has a molecular weight of 270.36 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 62684960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).