1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea

C18H16N4OS — CID 171934218

IUPAC1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea
SMILESCc1cc(-c2ccccc2)c(NC(=S)Nc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C18H16N4OS/c1-12-11-14(13-7-3-2-4-8-13)16(17(23)20-12)22-18(24)21-15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23)(H2,19,21,22,24)
InChIKeyMFKHPVOTULTCQI-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.55
Rot. Bonds3

About 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea

1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea (PubChem CID 171934218) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea
PubChem CID171934218
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea
SMILESCc1cc(-c2ccccc2)c(NC(=S)Nc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C18H16N4OS/c1-12-11-14(13-7-3-2-4-8-13)16(17(23)20-12)22-18(24)21-15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23)(H2,19,21,22,24)
InChIKeyMFKHPVOTULTCQI-UHFFFAOYSA-N
XLogP3.55
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-methylphenyl)-3-pyridin-2-ylthiourea
CID 10683964
2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 920575
1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
CID 800382
6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168584768
1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea
CID 54167895
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide
CID 84577763
1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
CID 5249658
6-methyl-2-oxo-4-pyridin-2-yl-1H-pyridine-3-carbonitrile
CID 82470815
methyl 4-(pyridin-2-ylcarbamothioylamino)benzoate
CID 726295
1-[(Z)-benzylideneamino]-3-pyridin-2-ylthiourea
CID 5367275
pyridin-2-ylthiourea
CID 1490491
6-methyl-4-oxo-N-pyridin-2-yl-1H-pyridine-2-carboxamide;oxane
CID 144986647

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea?
The IUPAC name of 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea (CID 171934218) is 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea is Cc1cc(-c2ccccc2)c(NC(=S)Nc2ccccn2)c(=O)[nH]1.
What is the InChIKey of 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea?
The InChIKey is MFKHPVOTULTCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-11-14(13-7-3-2-4-8-13)16(17(23)20-12)22-18(24)21-15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23)(H2,19,21,22,24).
What are the key properties of 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea?
1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea has a molecular weight of 336.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea is sourced from PubChem (CID 171934218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).