[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

C17H19N5OS — CID 95868526

IUPAC[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H19N5OS/c1-2-12-15(24-21-20-12)17(23)22-9-5-6-11(10-22)16-18-13-7-3-4-8-14(13)19-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyKLADALRXYOJULI-NSHDSACASA-N
MW341.44 g/mol
LogP3.00
Rot. Bonds3

About [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 95868526) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
PubChem CID95868526
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H19N5OS/c1-2-12-15(24-21-20-12)17(23)22-9-5-6-11(10-22)16-18-13-7-3-4-8-14(13)19-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyKLADALRXYOJULI-NSHDSACASA-N
XLogP3.00
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
CID 91946845
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 70781087
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (CID 95868526) is [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is KLADALRXYOJULI-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-12-15(24-21-20-12)17(23)22-9-5-6-11(10-22)16-18-13-7-3-4-8-14(13)19-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 95868526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).