1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol

C17H19N5OS — CID 167834826

IUPAC1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncccc2NCc2cccc3nsnc23)CC1
InChIInChI=1S/C17H19N5OS/c23-13-6-9-22(10-7-13)17-15(5-2-8-18-17)19-11-12-3-1-4-14-16(12)21-24-20-14/h1-5,8,13,19,23H,6-7,9-11H2
InChIKeyOIWOMSURUALGHE-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol

1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol (PubChem CID 167834826) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
PubChem CID167834826
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncccc2NCc2cccc3nsnc23)CC1
InChIInChI=1S/C17H19N5OS/c23-13-6-9-22(10-7-13)17-15(5-2-8-18-17)19-11-12-3-1-4-14-16(12)21-24-20-14/h1-5,8,13,19,23H,6-7,9-11H2
InChIKeyOIWOMSURUALGHE-UHFFFAOYSA-N
XLogP2.66
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[(3-phenylphenyl)methylamino]-2-pyridinyl]piperidin-4-ol
CID 75391244
1-[[3-(2,1,3-benzothiadiazol-4-ylmethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 146145236
1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol
CID 166197283
1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
CID 167886198
1-[3-(fluoroamino)-2-pyridinyl]piperidin-4-ol
CID 89185599
N-(2,1,3-benzothiadiazol-4-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)methanamine
CID 146145127
1-[[2-(2,1,3-benzothiadiazol-4-ylmethylamino)phenyl]methyl]pyrrolidin-2-one
CID 146144993
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
4-fluoro-2-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 103947898
2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 166262777
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 55060167
methyl 1-(2,1,3-benzothiadiazol-4-ylmethyl)piperidine-2-carboxylate
CID 75428183

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol (CID 167834826) is 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ncccc2NCc2cccc3nsnc23)CC1.
What is the InChIKey of 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The InChIKey is OIWOMSURUALGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-13-6-9-22(10-7-13)17-15(5-2-8-18-17)19-11-12-3-1-4-14-16(12)21-24-20-14/h1-5,8,13,19,23H,6-7,9-11H2.
What are the key properties of 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol has a molecular weight of 341.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 167834826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).