3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide

C12H18N4OS — CID 114112950

IUPAC3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
SMILESCOCCC1(CNc2nccnc2C(N)=S)CC1
InChIInChI=1S/C12H18N4OS/c1-17-7-4-12(2-3-12)8-16-11-9(10(13)18)14-5-6-15-11/h5-6H,2-4,7-8H2,1H3,(H2,13,18)(H,15,16)
InChIKeyIUGBQHAPJVWALO-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.34
Rot. Bonds7

About 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide

3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide (PubChem CID 114112950) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
PubChem CID114112950
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
SMILESCOCCC1(CNc2nccnc2C(N)=S)CC1
InChIInChI=1S/C12H18N4OS/c1-17-7-4-12(2-3-12)8-16-11-9(10(13)18)14-5-6-15-11/h5-6H,2-4,7-8H2,1H3,(H2,13,18)(H,15,16)
InChIKeyIUGBQHAPJVWALO-UHFFFAOYSA-N
XLogP1.34
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
CID 114112951
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 103794641
5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
CID 114112956
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
CID 114113412
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
CID 114113423
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 103794661
3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
CID 62684601
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103794776
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455530
2-[1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757217

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide (CID 114112950) is 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide is COCCC1(CNc2nccnc2C(N)=S)CC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide?
The InChIKey is IUGBQHAPJVWALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-17-7-4-12(2-3-12)8-16-11-9(10(13)18)14-5-6-15-11/h5-6H,2-4,7-8H2,1H3,(H2,13,18)(H,15,16).
What are the key properties of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide?
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide has a molecular weight of 266.37 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide is sourced from PubChem (CID 114112950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).