2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide

C14H18N4OS — CID 84816446

IUPAC2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
SMILESNC(=S)COc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C14H18N4OS/c15-13(20)8-19-10-3-4-11-12(6-10)18-14(17-11)9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,20)(H,17,18)
InChIKeyZROUFTZAPWOCOE-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.69
Rot. Bonds4

About 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide

2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide (PubChem CID 84816446) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide.

Molecular Properties

Compound Name2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
PubChem CID84816446
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
SMILESNC(=S)COc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C14H18N4OS/c15-13(20)8-19-10-3-4-11-12(6-10)18-14(17-11)9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,20)(H,17,18)
InChIKeyZROUFTZAPWOCOE-UHFFFAOYSA-N
XLogP1.69
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanethioamide
CID 84816445
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
CID 84816437
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
2-(4-piperidin-3-ylphenoxy)acetamide
CID 117100144

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide?
The IUPAC name of 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide (CID 84816446) is 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide.
What is the SMILES notation for 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide?
The canonical SMILES for 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide is NC(=S)COc1ccc2nc(C3CCCNC3)[nH]c2c1.
What is the InChIKey of 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide?
The InChIKey is ZROUFTZAPWOCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-13(20)8-19-10-3-4-11-12(6-10)18-14(17-11)9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,20)(H,17,18).
What are the key properties of 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide?
2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide has a molecular weight of 290.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide is sourced from PubChem (CID 84816446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).