1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea

C23H25N3OS — CID 22444308

IUPAC1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea
SMILESON(CCCCC(c1ccccc1)c1cccnc1)C(=S)Nc1ccccc1
InChIInChI=1S/C23H25N3OS/c27-26(23(28)25-21-13-5-2-6-14-21)17-8-7-15-22(19-10-3-1-4-11-19)20-12-9-16-24-18-20/h1-6,9-14,16,18,22,27H,7-8,15,17H2,(H,25,28)
InChIKeyGYFNIEINXMYVNC-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.47
Rot. Bonds8

About 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea

1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea (PubChem CID 22444308) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea.

Molecular Properties

Compound Name1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea
PubChem CID22444308
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea
SMILESON(CCCCC(c1ccccc1)c1cccnc1)C(=S)Nc1ccccc1
InChIInChI=1S/C23H25N3OS/c27-26(23(28)25-21-13-5-2-6-14-21)17-8-7-15-22(19-10-3-1-4-11-19)20-12-9-16-24-18-20/h1-6,9-14,16,18,22,27H,7-8,15,17H2,(H,25,28)
InChIKeyGYFNIEINXMYVNC-UHFFFAOYSA-N
XLogP5.47
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

11-phenyl-11-pyridin-3-ylundecan-2-one
CID 22444310
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
1-[(2-methoxyphenyl)methyl]-1-[(1R)-1-phenylethyl]-3-pyridin-3-ylthiourea
CID 27520670
2,2-dipyridin-3-ylethanol
CID 57450821
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
(2E)-3,7-dimethyl-N-(4-phenyl-4-pyridin-3-ylbutyl)octa-2,6-dien-1-amine
CID 164948672
dimethyl-[2-[(4-propan-2-ylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl]azanium
CID 3683110
(2R)-N-(4-anilinophenyl)-2-hydroxy-2-pyridin-3-ylacetamide
CID 95763353
3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine
CID 22444369

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea?
The IUPAC name of 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea (CID 22444308) is 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea.
What is the SMILES notation for 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea?
The canonical SMILES for 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea is ON(CCCCC(c1ccccc1)c1cccnc1)C(=S)Nc1ccccc1.
What is the InChIKey of 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea?
The InChIKey is GYFNIEINXMYVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-26(23(28)25-21-13-5-2-6-14-21)17-8-7-15-22(19-10-3-1-4-11-19)20-12-9-16-24-18-20/h1-6,9-14,16,18,22,27H,7-8,15,17H2,(H,25,28).
What are the key properties of 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea?
1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea has a molecular weight of 391.54 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea is sourced from PubChem (CID 22444308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).