N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide

C12H14N4OS — CID 804116

IUPACN-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide
SMILESC1CCN(CC1)C(=O)NC2=CC3=NSN=C3C=C2
InChIInChI=1S/C12H14N4OS/c17-12(16-6-2-1-3-7-16)13-9-4-5-10-11(8-9)15-18-14-10/h4-5,8H,1-3,6-7H2,(H,13,17)
InChIKeyWWNHSUWRGQPVLB-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.80
Rot. Bonds1

About N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide

N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide (PubChem CID 804116) has the molecular formula C12H14N4OS and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide
PubChem CID804116
Molecular FormulaC12H14N4OS
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide
SMILESC1CCN(CC1)C(=O)NC2=CC3=NSN=C3C=C2
InChIInChI=1S/C12H14N4OS/c17-12(16-6-2-1-3-7-16)13-9-4-5-10-11(8-9)15-18-14-10/h4-5,8H,1-3,6-7H2,(H,13,17)
InChIKeyWWNHSUWRGQPVLB-UHFFFAOYSA-N
XLogP1.80
TPSA86.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide?
The IUPAC name of N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide (CID 804116) is N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide?
The canonical SMILES for N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide is C1CCN(CC1)C(=O)NC2=CC3=NSN=C3C=C2.
What is the InChIKey of N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide?
The InChIKey is WWNHSUWRGQPVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(16-6-2-1-3-7-16)13-9-4-5-10-11(8-9)15-18-14-10/h4-5,8H,1-3,6-7H2,(H,13,17).
What are the key properties of N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide?
N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide is sourced from PubChem (CID 804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).