3-hydroxy-5,5-diphenylpentanethioamide

C17H19NOS — CID 139816994

IUPAC3-hydroxy-5,5-diphenylpentanethioamide
SMILESNC(=S)CC(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c18-17(20)12-15(19)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H2,18,20)
InChIKeyNOQUREPSGCBRAC-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.25
Rot. Bonds6

About 3-hydroxy-5,5-diphenylpentanethioamide

3-hydroxy-5,5-diphenylpentanethioamide (PubChem CID 139816994) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-hydroxy-5,5-diphenylpentanethioamide.

Molecular Properties

Compound Name3-hydroxy-5,5-diphenylpentanethioamide
PubChem CID139816994
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name3-hydroxy-5,5-diphenylpentanethioamide
SMILESNC(=S)CC(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c18-17(20)12-15(19)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H2,18,20)
InChIKeyNOQUREPSGCBRAC-UHFFFAOYSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-hydroxy-5,5-diphenylpentanethioamide?
The IUPAC name of 3-hydroxy-5,5-diphenylpentanethioamide (CID 139816994) is 3-hydroxy-5,5-diphenylpentanethioamide.
What is the SMILES notation for 3-hydroxy-5,5-diphenylpentanethioamide?
The canonical SMILES for 3-hydroxy-5,5-diphenylpentanethioamide is NC(=S)CC(O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-5,5-diphenylpentanethioamide?
The InChIKey is NOQUREPSGCBRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c18-17(20)12-15(19)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H2,18,20).
What are the key properties of 3-hydroxy-5,5-diphenylpentanethioamide?
3-hydroxy-5,5-diphenylpentanethioamide has a molecular weight of 285.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,5-diphenylpentanethioamide is sourced from PubChem (CID 139816994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).