2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide

C15H16N2OS — CID 60891304

IUPAC2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C15H16N2OS/c16-15(19)11-13-1-3-14(4-2-13)18-10-7-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H2,16,19)
InChIKeyZBXGHTDCCFMVET-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.53
Rot. Bonds6

About 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide

2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide (PubChem CID 60891304) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
PubChem CID60891304
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C15H16N2OS/c16-15(19)11-13-1-3-14(4-2-13)18-10-7-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H2,16,19)
InChIKeyZBXGHTDCCFMVET-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
CID 55235923
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile
CID 60890728
2-[4-(2-propoxyethoxy)phenyl]ethanethioamide
CID 43291468
4-(2-pyridin-4-ylethoxy)benzenesulfonamide
CID 82910996
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 60891122
(1R)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 63365438
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
CID 43352082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide (CID 60891304) is 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide is NC(=S)Cc1ccc(OCCc2ccncc2)cc1.
What is the InChIKey of 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide?
The InChIKey is ZBXGHTDCCFMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c16-15(19)11-13-1-3-14(4-2-13)18-10-7-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H2,16,19).
What are the key properties of 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide?
2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide has a molecular weight of 272.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide is sourced from PubChem (CID 60891304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).