N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide

C12H14N4OS — CID 804116

IUPACN-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2nsnc2c1)N1CCCCC1
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
MW262.34 g/mol
LogP2.71
Rot. Bonds1

About N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide

N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 804116) has the molecular formula C12H14N4OS and a molecular weight of 262.34 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)piperidine-1-carboxamide
PubChem CID804116
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2nsnc2c1)N1CCCCC1
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
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.71
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)piperidine-1-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide (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)piperidine-1-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccc2nsnc2c1)N1CCCCC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide?
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)piperidine-1-carboxamide?
N-(2,1,3-benzothiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.71, 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)piperidine-1-carboxamide is sourced from PubChem (CID 804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).