4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide

C15H16N4OS — CID 3783898

IUPAC4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)NCc2cnc(C)cn2)cc1
InChIInChI=1S/C15H16N4OS/c1-10-3-5-12(6-4-10)14(20)19-15(21)18-9-13-8-16-11(2)7-17-13/h3-8H,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyZFIDXYPGWVYLJO-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.90
Rot. Bonds3

About 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide

4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide (PubChem CID 3783898) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide
PubChem CID3783898
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)NCc2cnc(C)cn2)cc1
InChIInChI=1S/C15H16N4OS/c1-10-3-5-12(6-4-10)14(20)19-15(21)18-9-13-8-16-11(2)7-17-13/h3-8H,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyZFIDXYPGWVYLJO-UHFFFAOYSA-N
XLogP1.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.90
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

4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
(5-methylpyrazin-2-yl)methylurea
CID 62845946
N-[(4-methylphenyl)methylcarbamothioyl]-4-propoxybenzamide
CID 46762058
1-butyl-3-[(5-methylpyrazin-2-yl)methyl]thiourea
CID 116508365
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 74231577
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylcarbamothioyl]benzamide
CID 46762065
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide?
The IUPAC name of 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide (CID 3783898) is 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide?
The canonical SMILES for 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide is Cc1ccc(C(=O)NC(=S)NCc2cnc(C)cn2)cc1.
What is the InChIKey of 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide?
The InChIKey is ZFIDXYPGWVYLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-3-5-12(6-4-10)14(20)19-15(21)18-9-13-8-16-11(2)7-17-13/h3-8H,9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide?
4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide has a molecular weight of 300.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylpyrazin-2-yl)methylcarbamothioyl]benzamide is sourced from PubChem (CID 3783898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).