1-(6-aminopyrazin-2-yl)-3-phenylthiourea

C11H11N5S — CID 12626420

IUPAC1-(6-aminopyrazin-2-yl)-3-phenylthiourea
SMILESNc1cncc(NC(=S)Nc2ccccc2)n1
InChIInChI=1S/C11H11N5S/c12-9-6-13-7-10(15-9)16-11(17)14-8-4-2-1-3-5-8/h1-7H,(H4,12,14,15,16,17)
InChIKeySGFOOOBUHXZUCY-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.87
Rot. Bonds2

About 1-(6-aminopyrazin-2-yl)-3-phenylthiourea

1-(6-aminopyrazin-2-yl)-3-phenylthiourea (PubChem CID 12626420) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-(6-aminopyrazin-2-yl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(6-aminopyrazin-2-yl)-3-phenylthiourea
PubChem CID12626420
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name1-(6-aminopyrazin-2-yl)-3-phenylthiourea
SMILESNc1cncc(NC(=S)Nc2ccccc2)n1
InChIInChI=1S/C11H11N5S/c12-9-6-13-7-10(15-9)16-11(17)14-8-4-2-1-3-5-8/h1-7H,(H4,12,14,15,16,17)
InChIKeySGFOOOBUHXZUCY-UHFFFAOYSA-N
XLogP1.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-phenylthiourea
CID 3032486
1-(methylamino)-3-phenylthiourea
CID 13456646
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
2-N-(2-phenylsulfanylethyl)pyrazine-2,6-diamine
CID 78989045
1-(3,4-dimethylphenyl)-3-phenylthiourea
CID 837227
1-(4-fluorophenyl)-3-[6-[(4-fluorophenyl)carbamothioylamino]-2-pyridinyl]thiourea
CID 2731256
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-phenyl-3-[7-(phenylcarbamothioylamino)heptyl]thiourea
CID 3094104
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
1-(4-chloro-7-methoxyquinolin-2-yl)-3-phenylthiourea
CID 3246633
1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 5048508

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrazin-2-yl)-3-phenylthiourea?
The IUPAC name of 1-(6-aminopyrazin-2-yl)-3-phenylthiourea (CID 12626420) is 1-(6-aminopyrazin-2-yl)-3-phenylthiourea.
What is the SMILES notation for 1-(6-aminopyrazin-2-yl)-3-phenylthiourea?
The canonical SMILES for 1-(6-aminopyrazin-2-yl)-3-phenylthiourea is Nc1cncc(NC(=S)Nc2ccccc2)n1.
What is the InChIKey of 1-(6-aminopyrazin-2-yl)-3-phenylthiourea?
The InChIKey is SGFOOOBUHXZUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c12-9-6-13-7-10(15-9)16-11(17)14-8-4-2-1-3-5-8/h1-7H,(H4,12,14,15,16,17).
What are the key properties of 1-(6-aminopyrazin-2-yl)-3-phenylthiourea?
1-(6-aminopyrazin-2-yl)-3-phenylthiourea has a molecular weight of 245.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrazin-2-yl)-3-phenylthiourea is sourced from PubChem (CID 12626420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).