N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide

C16H16N6OS — CID 90544561

IUPACN-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc2nsnc2c1
InChIInChI=1S/C16H16N6OS/c23-16(11-4-5-12-13(8-11)21-24-20-12)19-14-9-15(18-10-17-14)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,17,18,19,23)
InChIKeyYUSIDIZNPCVWKX-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.72
Rot. Bonds3

About N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide

N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 90544561) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID90544561
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1ccc2nsnc2c1
InChIInChI=1S/C16H16N6OS/c23-16(11-4-5-12-13(8-11)21-24-20-12)19-14-9-15(18-10-17-14)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,17,18,19,23)
InChIKeyYUSIDIZNPCVWKX-UHFFFAOYSA-N
XLogP2.72
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71795732
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2H-benzotriazole-5-carboxamide
CID 90543955
N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
CID 90544570
N-(2-pyrrolidin-1-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313981
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-4-(trifluoromethoxy)benzamide
CID 90545034
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122326419
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide (CID 90544561) is N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc2nsnc2c1.
What is the InChIKey of N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is YUSIDIZNPCVWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(11-4-5-12-13(8-11)21-24-20-12)19-14-9-15(18-10-17-14)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,17,18,19,23).
What are the key properties of N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 90544561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).