2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide

C14H12N4S — CID 63637408

IUPAC2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide
SMILESNC(=S)Cc1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C14H12N4S/c15-12(19)9-14-17-10-5-1-2-6-11(10)18(14)13-7-3-4-8-16-13/h1-8H,9H2,(H2,15,19)
InChIKeyGCZWUPVTLZEXMC-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.25
Rot. Bonds3

About 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide

2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide (PubChem CID 63637408) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide
PubChem CID63637408
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide
SMILESNC(=S)Cc1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C14H12N4S/c15-12(19)9-14-17-10-5-1-2-6-11(10)18(14)13-7-3-4-8-16-13/h1-8H,9H2,(H2,15,19)
InChIKeyGCZWUPVTLZEXMC-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(6-methylsulfanylpyrimidin-4-yl)benzimidazol-2-yl]ethanethioamide
CID 106973686
2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
CID 21050242
2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]ethanethioamide
CID 63637570
2-[1-[(3-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]ethanethioamide
CID 115982441
2-[1-(2-fluoroethyl)benzimidazol-2-yl]ethanethioamide
CID 80695955
2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole
CID 22736660
2-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzimidazol-2-yl]ethanethioamide
CID 65280715
1,2-dipyridin-2-ylbenzimidazole
CID 122179936
2-phenyl-1-pyridin-2-ylbenzimidazole
CID 134960173
2-(1-butylbenzimidazol-2-yl)ethanethioamide
CID 55244550
1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole
CID 70267004
2-[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]ethanethioamide
CID 115518301

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide?
The IUPAC name of 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide (CID 63637408) is 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide.
What is the SMILES notation for 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide?
The canonical SMILES for 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide is NC(=S)Cc1nc2ccccc2n1-c1ccccn1.
What is the InChIKey of 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide?
The InChIKey is GCZWUPVTLZEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-12(19)9-14-17-10-5-1-2-6-11(10)18(14)13-7-3-4-8-16-13/h1-8H,9H2,(H2,15,19).
What are the key properties of 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide?
2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide has a molecular weight of 268.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide is sourced from PubChem (CID 63637408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).