2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide

C15H12N4S — CID 11822018

IUPAC2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide
SMILESCc1nc2cccnc2nc1C(=S)Nc1ccccc1
InChIInChI=1S/C15H12N4S/c1-10-13(15(20)18-11-6-3-2-4-7-11)19-14-12(17-10)8-5-9-16-14/h2-9H,1H3,(H,18,20)
InChIKeyBWBCNRRCAMKTKF-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide

2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide (PubChem CID 11822018) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide.

Molecular Properties

Compound Name2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide
PubChem CID11822018
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide
SMILESCc1nc2cccnc2nc1C(=S)Nc1ccccc1
InChIInChI=1S/C15H12N4S/c1-10-13(15(20)18-11-6-3-2-4-7-11)19-14-12(17-10)8-5-9-16-14/h2-9H,1H3,(H,18,20)
InChIKeyBWBCNRRCAMKTKF-UHFFFAOYSA-N
XLogP3.12
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide?
The IUPAC name of 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide (CID 11822018) is 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide.
What is the SMILES notation for 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide?
The canonical SMILES for 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide is Cc1nc2cccnc2nc1C(=S)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide?
The InChIKey is BWBCNRRCAMKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-10-13(15(20)18-11-6-3-2-4-7-11)19-14-12(17-10)8-5-9-16-14/h2-9H,1H3,(H,18,20).
What are the key properties of 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide?
2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide has a molecular weight of 280.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylpyrido[2,3-b]pyrazine-3-carbothioamide is sourced from PubChem (CID 11822018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).