1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone

C12H13N3OS — CID 738381

IUPAC1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2snnc2c1)N1CCCCC1
InChIInChI=1S/C12H13N3OS/c16-12(15-6-2-1-3-7-15)9-4-5-11-10(8-9)13-14-17-11/h4-5,8H,1-3,6-7H2
InChIKeySPAHGQLVSVQDQN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.32
Rot. Bonds1

About 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone

1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone (PubChem CID 738381) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone
PubChem CID738381
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2snnc2c1)N1CCCCC1
InChIInChI=1S/C12H13N3OS/c16-12(15-6-2-1-3-7-15)9-4-5-11-10(8-9)13-14-17-11/h4-5,8H,1-3,6-7H2
InChIKeySPAHGQLVSVQDQN-UHFFFAOYSA-N
XLogP2.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone?
The IUPAC name of 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone (CID 738381) is 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone?
The canonical SMILES for 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone is O=C(c1ccc2snnc2c1)N1CCCCC1.
What is the InChIKey of 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone?
The InChIKey is SPAHGQLVSVQDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-12(15-6-2-1-3-7-15)9-4-5-11-10(8-9)13-14-17-11/h4-5,8H,1-3,6-7H2.
What are the key properties of 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone?
1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone has a molecular weight of 247.32 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazol-5-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 738381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).