3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide

C13H22N4OS — CID 115505522

IUPAC3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide
SMILESCC(C)N(CCOc1nccnc1C(N)=S)C(C)C
InChIInChI=1S/C13H22N4OS/c1-9(2)17(10(3)4)7-8-18-13-11(12(14)19)15-5-6-16-13/h5-6,9-10H,7-8H2,1-4H3,(H2,14,19)
InChIKeyOLTIMSJMALWLCP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.61
Rot. Bonds7

About 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide

3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide (PubChem CID 115505522) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide
PubChem CID115505522
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide
SMILESCC(C)N(CCOc1nccnc1C(N)=S)C(C)C
InChIInChI=1S/C13H22N4OS/c1-9(2)17(10(3)4)7-8-18-13-11(12(14)19)15-5-6-16-13/h5-6,9-10H,7-8H2,1-4H3,(H2,14,19)
InChIKeyOLTIMSJMALWLCP-UHFFFAOYSA-N
XLogP1.61
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-propoxypyrazine-2-carbothioamide
CID 62683968
3-(2-methylpropoxy)pyrazine-2-carbothioamide
CID 62683960
3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide
CID 55102943
3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
CID 115505505
3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carbothioamide
CID 103402515
3-(4-methylpentan-2-yloxy)pyrazine-2-carbothioamide
CID 62684466
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405
2-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]benzenecarbothioamide
CID 115505541
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
4-[2-[di(propan-2-yl)amino]ethoxy]-3-fluorobenzenecarbothioamide
CID 115505528
4-[2-[di(propan-2-yl)amino]ethoxy]-6-ethoxypyrimidin-5-amine
CID 115505378
3-(1-phenylethoxy)pyrazine-2-carbothioamide
CID 62683961

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide (CID 115505522) is 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide is CC(C)N(CCOc1nccnc1C(N)=S)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide?
The InChIKey is OLTIMSJMALWLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)17(10(3)4)7-8-18-13-11(12(14)19)15-5-6-16-13/h5-6,9-10H,7-8H2,1-4H3,(H2,14,19).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide?
3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide has a molecular weight of 282.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide is sourced from PubChem (CID 115505522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).