3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide

C12H20N4OS — CID 62685655

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
SMILESCCC(C)N(CCOC)c1nccnc1C(N)=S
InChIInChI=1S/C12H20N4OS/c1-4-9(2)16(7-8-17-3)12-10(11(13)18)14-5-6-15-12/h5-6,9H,4,7-8H2,1-3H3,(H2,13,18)
InChIKeyQPIODCRQSPMGHG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.36
Rot. Bonds7

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

3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide (PubChem CID 62685655) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
PubChem CID62685655
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
SMILESCCC(C)N(CCOC)c1nccnc1C(N)=S
InChIInChI=1S/C12H20N4OS/c1-4-9(2)16(7-8-17-3)12-10(11(13)18)14-5-6-15-12/h5-6,9H,4,7-8H2,1-3H3,(H2,13,18)
InChIKeyQPIODCRQSPMGHG-UHFFFAOYSA-N
XLogP1.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.36
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-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62702545
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-propan-2-ylamino]acetate
CID 62683273
3-(dipropylamino)pyrazine-2-carbothioamide
CID 62685111
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547062
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
CID 62684039
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 113286494

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide (CID 62685655) is 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide is CCC(C)N(CCOC)c1nccnc1C(N)=S.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
The InChIKey is QPIODCRQSPMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-9(2)16(7-8-17-3)12-10(11(13)18)14-5-6-15-12/h5-6,9H,4,7-8H2,1-3H3,(H2,13,18).
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide?
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide has a molecular weight of 268.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 62685655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).