4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide

C14H16N2O2S — CID 137046321

IUPAC4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide
SMILESCC1(C)CC(O)=C(C(=S)Nc2ccccc2)C(=O)N1
InChIInChI=1S/C14H16N2O2S/c1-14(2)8-10(17)11(12(18)16-14)13(19)15-9-6-4-3-5-7-9/h3-7,17H,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyGYGGFEHHGMQBBO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.54
Rot. Bonds2

About 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide

4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide (PubChem CID 137046321) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide
PubChem CID137046321
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide
SMILESCC1(C)CC(O)=C(C(=S)Nc2ccccc2)C(=O)N1
InChIInChI=1S/C14H16N2O2S/c1-14(2)8-10(17)11(12(18)16-14)13(19)15-9-6-4-3-5-7-9/h3-7,17H,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyGYGGFEHHGMQBBO-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide?
The IUPAC name of 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide (CID 137046321) is 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide is CC1(C)CC(O)=C(C(=S)Nc2ccccc2)C(=O)N1.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide?
The InChIKey is GYGGFEHHGMQBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2)8-10(17)11(12(18)16-14)13(19)15-9-6-4-3-5-7-9/h3-7,17H,8H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide?
4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide has a molecular weight of 276.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethyl-6-oxo-N-phenyl-1,3-dihydropyridine-5-carbothioamide is sourced from PubChem (CID 137046321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).