5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine

C19H23N5OS — CID 153402010

IUPAC5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine
SMILESCc1ccc(N2CCCC(COc3cccc4c3C(N)=NSN4)C2)nc1
InChIInChI=1S/C19H23N5OS/c1-13-7-8-17(21-10-13)24-9-3-4-14(11-24)12-25-16-6-2-5-15-18(16)19(20)23-26-22-15/h2,5-8,10,14,22H,3-4,9,11-12H2,1H3,(H2,20,23)
InChIKeyDUVBTLLDDQKNHQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.38
Rot. Bonds4

About 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine

5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine (PubChem CID 153402010) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine.

Molecular Properties

Compound Name5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine
PubChem CID153402010
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine
SMILESCc1ccc(N2CCCC(COc3cccc4c3C(N)=NSN4)C2)nc1
InChIInChI=1S/C19H23N5OS/c1-13-7-8-17(21-10-13)24-9-3-4-14(11-24)12-25-16-6-2-5-15-18(16)19(20)23-26-22-15/h2,5-8,10,14,22H,3-4,9,11-12H2,1H3,(H2,20,23)
InChIKeyDUVBTLLDDQKNHQ-UHFFFAOYSA-N
XLogP3.38
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine with MolForge

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Related Compounds

N-cyclopropylformamide;5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
CID 153402004
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190
6-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbaldehyde;N-methylcyclopentanamine
CID 153401999
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129414410
6-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 146366295
[(3S)-3-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 129303913
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
[6-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 159372707
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592660
6-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyrimidine-2,4-diamine
CID 72914782

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine?
The IUPAC name of 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine (CID 153402010) is 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine.
What is the SMILES notation for 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine?
The canonical SMILES for 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine is Cc1ccc(N2CCCC(COc3cccc4c3C(N)=NSN4)C2)nc1.
What is the InChIKey of 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine?
The InChIKey is DUVBTLLDDQKNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-7-8-17(21-10-13)24-9-3-4-14(11-24)12-25-16-6-2-5-15-18(16)19(20)23-26-22-15/h2,5-8,10,14,22H,3-4,9,11-12H2,1H3,(H2,20,23).
What are the key properties of 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine?
5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine has a molecular weight of 369.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine is sourced from PubChem (CID 153402010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).