N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide

C13H16N4OS — CID 753193

IUPACN-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3nsnc3c2)CC1
InChIInChI=1S/C13H16N4OS/c1-9-4-6-17(7-5-9)13(18)14-10-2-3-11-12(8-10)16-19-15-11/h2-3,8-9H,4-7H2,1H3,(H,14,18)
InChIKeyKTIOBDAOHFINKI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.96
Rot. Bonds1

About N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide

N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 753193) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide
PubChem CID753193
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3nsnc3c2)CC1
InChIInChI=1S/C13H16N4OS/c1-9-4-6-17(7-5-9)13(18)14-10-2-3-11-12(8-10)16-19-15-11/h2-3,8-9H,4-7H2,1H3,(H,14,18)
InChIKeyKTIOBDAOHFINKI-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.96
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)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide (CID 753193) is N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc3nsnc3c2)CC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is KTIOBDAOHFINKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-4-6-17(7-5-9)13(18)14-10-2-3-11-12(8-10)16-19-15-11/h2-3,8-9H,4-7H2,1H3,(H,14,18).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide?
N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.96, 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)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 753193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).