1,2-benzothiazol-3-yl(piperidin-1-yl)methanone

C13H14N2OS — CID 6625272

IUPAC1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
SMILESO=C(c1nsc2ccccc12)N1CCCCC1
InChIInChI=1S/C13H14N2OS/c16-13(15-8-4-1-5-9-15)12-10-6-2-3-7-11(10)17-14-12/h2-3,6-7H,1,4-5,8-9H2
InChIKeyOFPWIFCNXGHJGV-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.92
Rot. Bonds1

About 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone

1,2-benzothiazol-3-yl(piperidin-1-yl)methanone (PubChem CID 6625272) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
PubChem CID6625272
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
SMILESO=C(c1nsc2ccccc12)N1CCCCC1
InChIInChI=1S/C13H14N2OS/c16-13(15-8-4-1-5-9-15)12-10-6-2-3-7-11(10)17-14-12/h2-3,6-7H,1,4-5,8-9H2
InChIKeyOFPWIFCNXGHJGV-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 46321786
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 46321793
N-(1-adamantyl)-4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 50805019
ethyl 2-[[4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carbonyl]amino]acetate
CID 46358834
4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 46358838
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 20932453
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-yl]methanone
CID 20932455
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342
azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
1-[3-(piperidine-1-carbonyl)indazol-1-yl]ethanone
CID 15268068

Frequently Asked Questions

What is the IUPAC name of 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone?
The IUPAC name of 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone (CID 6625272) is 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone?
The canonical SMILES for 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone is O=C(c1nsc2ccccc12)N1CCCCC1.
What is the InChIKey of 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone?
The InChIKey is OFPWIFCNXGHJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-13(15-8-4-1-5-9-15)12-10-6-2-3-7-11(10)17-14-12/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone?
1,2-benzothiazol-3-yl(piperidin-1-yl)methanone has a molecular weight of 246.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzothiazol-3-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 6625272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).