(6-ethoxypyrazin-2-yl)thiourea

C7H10N4OS — CID 90714777

IUPAC(6-ethoxypyrazin-2-yl)thiourea
SMILESCCOc1cncc(NC(N)=S)n1
InChIInChI=1S/C7H10N4OS/c1-2-12-6-4-9-3-5(10-6)11-7(8)13/h3-4H,2H2,1H3,(H3,8,10,11,13)
InChIKeyQIBVHGULQMEDEG-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.53
Rot. Bonds3

About (6-ethoxypyrazin-2-yl)thiourea

(6-ethoxypyrazin-2-yl)thiourea (PubChem CID 90714777) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is (6-ethoxypyrazin-2-yl)thiourea.

Molecular Properties

Compound Name(6-ethoxypyrazin-2-yl)thiourea
PubChem CID90714777
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name(6-ethoxypyrazin-2-yl)thiourea
SMILESCCOc1cncc(NC(N)=S)n1
InChIInChI=1S/C7H10N4OS/c1-2-12-6-4-9-3-5(10-6)11-7(8)13/h3-4H,2H2,1H3,(H3,8,10,11,13)
InChIKeyQIBVHGULQMEDEG-UHFFFAOYSA-N
XLogP0.53
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271294
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine
CID 107323521
3-N-(6-ethoxypyrazin-2-yl)butane-1,3-diamine
CID 83179069
(6-ethoxypyrazin-2-yl)methanamine
CID 66450583
(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol
CID 124741988
N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine
CID 106308549
N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149316
2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxamide
CID 133430656
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885

Frequently Asked Questions

What is the IUPAC name of (6-ethoxypyrazin-2-yl)thiourea?
The IUPAC name of (6-ethoxypyrazin-2-yl)thiourea (CID 90714777) is (6-ethoxypyrazin-2-yl)thiourea.
What is the SMILES notation for (6-ethoxypyrazin-2-yl)thiourea?
The canonical SMILES for (6-ethoxypyrazin-2-yl)thiourea is CCOc1cncc(NC(N)=S)n1.
What is the InChIKey of (6-ethoxypyrazin-2-yl)thiourea?
The InChIKey is QIBVHGULQMEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-2-12-6-4-9-3-5(10-6)11-7(8)13/h3-4H,2H2,1H3,(H3,8,10,11,13).
What are the key properties of (6-ethoxypyrazin-2-yl)thiourea?
(6-ethoxypyrazin-2-yl)thiourea has a molecular weight of 198.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxypyrazin-2-yl)thiourea is sourced from PubChem (CID 90714777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).