N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide

C15H15N3OS — CID 163254012

IUPACN-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide
SMILESCc1cc(NC(=S)NC(=O)c2ccccc2)c(C)cn1
InChIInChI=1S/C15H15N3OS/c1-10-9-16-11(2)8-13(10)17-15(20)18-14(19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyBEQMZGCJHFNGMG-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.83
Rot. Bonds2

About N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide

N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide (PubChem CID 163254012) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide
PubChem CID163254012
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide
SMILESCc1cc(NC(=S)NC(=O)c2ccccc2)c(C)cn1
InChIInChI=1S/C15H15N3OS/c1-10-9-16-11(2)8-13(10)17-15(20)18-14(19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyBEQMZGCJHFNGMG-UHFFFAOYSA-N
XLogP2.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxy-2,5-dimethylphenyl)carbamothioyl]benzamide
CID 58910568
N-[(6-methyl-1,3-benzodioxol-5-yl)carbamothioyl]benzamide
CID 144672368
N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide
CID 15175518
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 139076926
N-[[5-(4-methoxy-2-pyridinyl)-2-methylphenyl]carbamothioyl]benzamide
CID 18631007
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
CID 3311772
[2-(benzoylcarbamothioylamino)-4-methylphenyl]azanium
CID 142919985
N-[(4,5-dimethyl-2-nitrophenyl)carbamothioyl]benzamide
CID 2940908
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]benzamide
CID 2279651
N-[(4-amino-2,3-dimethylphenyl)carbamothioyl]benzamide
CID 174769046
N-[(2,6-dichloro-3-pyridinyl)carbamothioyl]benzamide
CID 13415572
N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4952984

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide (CID 163254012) is N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide is Cc1cc(NC(=S)NC(=O)c2ccccc2)c(C)cn1.
What is the InChIKey of N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide?
The InChIKey is BEQMZGCJHFNGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-9-16-11(2)8-13(10)17-15(20)18-14(19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide?
N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide has a molecular weight of 285.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 163254012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).