N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide

C15H20N4O2S — CID 71784709

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccc3nsnc3c2)CC1
InChIInChI=1S/C15H20N4O2S/c1-21-9-8-19-6-4-12(5-7-19)16-15(20)11-2-3-13-14(10-11)18-22-17-13/h2-3,10,12H,4-9H2,1H3,(H,16,20)
InChIKeyQBLQJHZLDJQWTG-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.53
Rot. Bonds5

About N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide

N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71784709) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71784709
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccc3nsnc3c2)CC1
InChIInChI=1S/C15H20N4O2S/c1-21-9-8-19-6-4-12(5-7-19)16-15(20)11-2-3-13-14(10-11)18-22-17-13/h2-3,10,12H,4-9H2,1H3,(H,16,20)
InChIKeyQBLQJHZLDJQWTG-UHFFFAOYSA-N
XLogP1.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide (CID 71784709) is N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide is COCCN1CCC(NC(=O)c2ccc3nsnc3c2)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is QBLQJHZLDJQWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-21-9-8-19-6-4-12(5-7-19)16-15(20)11-2-3-13-14(10-11)18-22-17-13/h2-3,10,12H,4-9H2,1H3,(H,16,20).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71784709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).