N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide

C13H12N4O2S — CID 14460673

IUPACN-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide
SMILESCOc1nccnc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C13H12N4O2S/c1-19-12-10(14-7-8-15-12)16-13(20)17-11(18)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16,17,18,20)
InChIKeyMLPTVRLFMDFSJI-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.61
Rot. Bonds3

About N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide

N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide (PubChem CID 14460673) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide
PubChem CID14460673
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide
SMILESCOc1nccnc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C13H12N4O2S/c1-19-12-10(14-7-8-15-12)16-13(20)17-11(18)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16,17,18,20)
InChIKeyMLPTVRLFMDFSJI-UHFFFAOYSA-N
XLogP1.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.61
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

N-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)carbamothioyl]benzamide
CID 11078231
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 54783087
N-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamothioyl]benzamide
CID 59128801
1-N,3-N-bis[(3-hydroxy-2-pyridinyl)carbamothioyl]benzene-1,3-dicarboxamide
CID 102194897
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-nitrobenzamide
CID 54783138
5-(benzoylcarbamothioylamino)-3H-1,3-azaphosphole-4-carboxamide
CID 54016181
3-ethoxy-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54783109
N-(4-methoxy-1,2,5-oxadiazol-3-yl)benzamide
CID 5048432
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 139076926
N-[(3-ethyl-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 126619395
CID 89367522
CID 89367522

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide (CID 14460673) is N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide is COc1nccnc1NC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide?
The InChIKey is MLPTVRLFMDFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-19-12-10(14-7-8-15-12)16-13(20)17-11(18)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16,17,18,20).
What are the key properties of N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide?
N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide has a molecular weight of 288.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide is sourced from PubChem (CID 14460673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).