1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea

C15H17N3OS — CID 130230056

IUPAC1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea
SMILESCc1nc(NC(=S)Nc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C15H17N3OS/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-8,19H,1-3H3,(H2,16,17,18,20)
InChIKeyTUQSJHBUEROXHR-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.52
Rot. Bonds2

About 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea

1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea (PubChem CID 130230056) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea
PubChem CID130230056
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea
SMILESCc1nc(NC(=S)Nc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C15H17N3OS/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-8,19H,1-3H3,(H2,16,17,18,20)
InChIKeyTUQSJHBUEROXHR-UHFFFAOYSA-N
XLogP3.52
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.52
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

2,4,5-Trimethyl-6-(4-propylanilino)pyridin-3-ol
CID 124107079
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)-3-phenylpropanamide
CID 86304263
6-(Dimethylamino)-2,4-dimethylpyridin-3-ol
CID 10909926
6-Amino-2,4,5-trimethylpyridin-3-ol
CID 71622385
6-(Hexylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622386
6-(Cyclohexylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622516
6-(Benzylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622517
2,4,5-Trimethyl-6-(phenylamino)pyridin-3-ol
CID 71622518
6-((2-Isopropylphenyl)amino)-2,4,5-trimethylpyridin-3-ol
CID 71622519
6-((4-Bromophenyl)amino)-2,4,5-trimethylpyridin-3-ol
CID 71622520
6-(Diphenylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622657
N-(5-hydroxy-3,4,6-trimethylpyridine-2-yl)-2-penylacetamide
CID 86304261

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea?
The IUPAC name of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea (CID 130230056) is 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea.
What is the SMILES notation for 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea?
The canonical SMILES for 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea is Cc1nc(NC(=S)Nc2ccccc2)c(C)c(C)c1O.
What is the InChIKey of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea?
The InChIKey is TUQSJHBUEROXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-10(2)14(16-11(3)13(9)19)18-15(20)17-12-7-5-4-6-8-12/h4-8,19H,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea?
1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea has a molecular weight of 287.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)-3-phenylthiourea is sourced from PubChem (CID 130230056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).