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

C16H16N6OS — CID 778358

IUPACN-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2nsnc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16N6OS/c23-16(18-12-4-5-13-14(11-12)20-24-19-13)22-9-7-21(8-10-22)15-3-1-2-6-17-15/h1-6,11H,7-10H2,(H,18,23)
InChIKeyOLDZCPNQIVEGFC-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.44
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 778358) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID778358
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2nsnc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H16N6OS/c23-16(18-12-4-5-13-14(11-12)20-24-19-13)22-9-7-21(8-10-22)15-3-1-2-6-17-15/h1-6,11H,7-10H2,(H,18,23)
InChIKeyOLDZCPNQIVEGFC-UHFFFAOYSA-N
XLogP2.44
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
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N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
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4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
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CID 4236681
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 778358) is N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccc2nsnc2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is OLDZCPNQIVEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(18-12-4-5-13-14(11-12)20-24-19-13)22-9-7-21(8-10-22)15-3-1-2-6-17-15/h1-6,11H,7-10H2,(H,18,23).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 778358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).