[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C16H16N4OS — CID 110258767

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H16N4OS/c21-16(14-8-17-10-22-14)20-7-3-4-11(9-20)15-18-12-5-1-2-6-13(12)19-15/h1-2,5-6,8,10-11H,3-4,7,9H2,(H,18,19)
InChIKeyBBVDOZYPFDQVSL-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.04
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 110258767) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID110258767
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H16N4OS/c21-16(14-8-17-10-22-14)20-7-3-4-11(9-20)15-18-12-5-1-2-6-13(12)19-15/h1-2,5-6,8,10-11H,3-4,7,9H2,(H,18,19)
InChIKeyBBVDOZYPFDQVSL-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 40791033
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 45192074
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 110258767) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is BBVDOZYPFDQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-16(14-8-17-10-22-14)20-7-3-4-11(9-20)15-18-12-5-1-2-6-13(12)19-15/h1-2,5-6,8,10-11H,3-4,7,9H2,(H,18,19).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 312.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110258767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).