N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide

C14H18N4OS — CID 42545374

IUPACN-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccc2nsnc12
InChIInChI=1S/C14H18N4OS/c19-14(15-7-10-18-8-2-1-3-9-18)11-5-4-6-12-13(11)17-20-16-12/h4-6H,1-3,7-10H2,(H,15,19)
InChIKeyCZMUHSPWUBICEL-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.91
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide

N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide (PubChem CID 42545374) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide
PubChem CID42545374
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccc2nsnc12
InChIInChI=1S/C14H18N4OS/c19-14(15-7-10-18-8-2-1-3-9-18)11-5-4-6-12-13(11)17-20-16-12/h4-6H,1-3,7-10H2,(H,15,19)
InChIKeyCZMUHSPWUBICEL-UHFFFAOYSA-N
XLogP1.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide (CID 42545374) is N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide is O=C(NCCN1CCCCC1)c1cccc2nsnc12.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide?
The InChIKey is CZMUHSPWUBICEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(15-7-10-18-8-2-1-3-9-18)11-5-4-6-12-13(11)17-20-16-12/h4-6H,1-3,7-10H2,(H,15,19).
What are the key properties of N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide?
N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide is sourced from PubChem (CID 42545374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).