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

C18H24N4O2S — CID 91812998

IUPACN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2nsnc2c1
InChIInChI=1S/C18H24N4O2S/c23-18(14-1-2-16-17(11-14)21-25-20-16)19-12-13-3-7-22(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15H,3-10,12H2,(H,19,23)
InChIKeyGKTGWHZBDKREEV-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.31
Rot. Bonds4

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

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 91812998) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID91812998
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2nsnc2c1
InChIInChI=1S/C18H24N4O2S/c23-18(14-1-2-16-17(11-14)21-25-20-16)19-12-13-3-7-22(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15H,3-10,12H2,(H,19,23)
InChIKeyGKTGWHZBDKREEV-UHFFFAOYSA-N
XLogP2.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 91812998) is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(NCC1CCN(C2CCOCC2)CC1)c1ccc2nsnc2c1.
What is the InChIKey of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is GKTGWHZBDKREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-18(14-1-2-16-17(11-14)21-25-20-16)19-12-13-3-7-22(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15H,3-10,12H2,(H,19,23).
What are the key properties of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 91812998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).