3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide

C15H10BrN3OS — CID 62684642

IUPAC3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H10BrN3OS/c16-12-10-4-2-1-3-9(10)5-6-11(12)20-15-13(14(17)21)18-7-8-19-15/h1-8H,(H2,17,21)
InChIKeyXHGJJXNDEKKWIS-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.82
Rot. Bonds3

About 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide

3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide (PubChem CID 62684642) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
PubChem CID62684642
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC Name3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H10BrN3OS/c16-12-10-4-2-1-3-9(10)5-6-11(12)20-15-13(14(17)21)18-7-8-19-15/h1-8H,(H2,17,21)
InChIKeyXHGJJXNDEKKWIS-UHFFFAOYSA-N
XLogP3.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
CID 62672685
2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
CID 61028499
3-(4-bromo-2-methylphenoxy)pyrazine-2-carbothioamide
CID 55161140
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
3-(1-bromonaphthalen-2-yl)oxypyridazine-4-carboxylic acid
CID 80515853
3-(4-methoxyphenoxy)pyrazine-2-carbothioamide
CID 55102710
4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042
3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide
CID 55102759
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
CID 80637587
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide (CID 62684642) is 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide is NC(=S)c1nccnc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide?
The InChIKey is XHGJJXNDEKKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-12-10-4-2-1-3-9(10)5-6-11(12)20-15-13(14(17)21)18-7-8-19-15/h1-8H,(H2,17,21).
What are the key properties of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide?
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide has a molecular weight of 360.24 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide is sourced from PubChem (CID 62684642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).