N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide

C15H15N3OS — CID 107805614

IUPACN-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2C)c1C(N)=S
InChIInChI=1S/C15H15N3OS/c1-9-5-3-7-12(13(9)14(16)20)18-15(19)11-6-4-8-17-10(11)2/h3-8H,1-2H3,(H2,16,20)(H,18,19)
InChIKeyGXCZMDMGWOMLFU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.58
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide

N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide (PubChem CID 107805614) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
PubChem CID107805614
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2C)c1C(N)=S
InChIInChI=1S/C15H15N3OS/c1-9-5-3-7-12(13(9)14(16)20)18-15(19)11-6-4-8-17-10(11)2/h3-8H,1-2H3,(H2,16,20)(H,18,19)
InChIKeyGXCZMDMGWOMLFU-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.58
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

(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517
N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
CID 62341176
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
CID 107805652
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide (CID 107805614) is N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide is Cc1cccc(NC(=O)c2cccnc2C)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is GXCZMDMGWOMLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-5-3-7-12(13(9)14(16)20)18-15(19)11-6-4-8-17-10(11)2/h3-8H,1-2H3,(H2,16,20)(H,18,19).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide?
N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 107805614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).