5-(2-methoxypropylamino)pyrazine-2-carbothioamide

C9H14N4OS — CID 102698302

IUPAC5-(2-methoxypropylamino)pyrazine-2-carbothioamide
SMILESCOC(C)CNc1cnc(C(N)=S)cn1
InChIInChI=1S/C9H14N4OS/c1-6(14-2)3-12-8-5-11-7(4-13-8)9(10)15/h4-6H,3H2,1-2H3,(H2,10,15)(H,12,13)
InChIKeyQQIVRMWKIABWJC-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.56
Rot. Bonds5

About 5-(2-methoxypropylamino)pyrazine-2-carbothioamide

5-(2-methoxypropylamino)pyrazine-2-carbothioamide (PubChem CID 102698302) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is 5-(2-methoxypropylamino)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-methoxypropylamino)pyrazine-2-carbothioamide
PubChem CID102698302
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC Name5-(2-methoxypropylamino)pyrazine-2-carbothioamide
SMILESCOC(C)CNc1cnc(C(N)=S)cn1
InChIInChI=1S/C9H14N4OS/c1-6(14-2)3-12-8-5-11-7(4-13-8)9(10)15/h4-6H,3H2,1-2H3,(H2,10,15)(H,12,13)
InChIKeyQQIVRMWKIABWJC-UHFFFAOYSA-N
XLogP0.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.56
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

5-(2-methoxypropylamino)pyrazine-2-carboximidamide
CID 102698449
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102694575
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
3-[(5-carbamothioylpyrazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113410633
N-(2-methoxypropyl)-5,6-dimethylpyrazin-2-amine
CID 102698959
5-[(3-methoxyoxolan-3-yl)methylamino]pyrazine-2-carbothioamide
CID 104761862
5-[2-(1-methylpyrazol-4-yl)ethylamino]pyrazine-2-carbothioamide
CID 80681946
ethyl 4-[(5-carbamothioylpyrazin-2-yl)amino]butanoate
CID 64574857
3-N-(2-methoxypropyl)pyridazine-3,6-diamine
CID 102701751
5-(4-bromo-3-methoxyanilino)pyrazine-2-carbothioamide
CID 82868325
2-(2-methoxypropylamino)-4,6-dimethylpyridine-3-carbothioamide
CID 102698288

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropylamino)pyrazine-2-carbothioamide?
The IUPAC name of 5-(2-methoxypropylamino)pyrazine-2-carbothioamide (CID 102698302) is 5-(2-methoxypropylamino)pyrazine-2-carbothioamide.
What is the SMILES notation for 5-(2-methoxypropylamino)pyrazine-2-carbothioamide?
The canonical SMILES for 5-(2-methoxypropylamino)pyrazine-2-carbothioamide is COC(C)CNc1cnc(C(N)=S)cn1.
What is the InChIKey of 5-(2-methoxypropylamino)pyrazine-2-carbothioamide?
The InChIKey is QQIVRMWKIABWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6(14-2)3-12-8-5-11-7(4-13-8)9(10)15/h4-6H,3H2,1-2H3,(H2,10,15)(H,12,13).
What are the key properties of 5-(2-methoxypropylamino)pyrazine-2-carbothioamide?
5-(2-methoxypropylamino)pyrazine-2-carbothioamide has a molecular weight of 226.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropylamino)pyrazine-2-carbothioamide is sourced from PubChem (CID 102698302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).