1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine

C17H19N3O2S — CID 131913739

IUPAC1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
SMILESc1cc2nsnc2cc1CNCc1ccc(C2CCCCO2)o1
InChIInChI=1S/C17H19N3O2S/c1-2-8-21-16(3-1)17-7-5-13(22-17)11-18-10-12-4-6-14-15(9-12)20-23-19-14/h4-7,9,16,18H,1-3,8,10-11H2
InChIKeyQXVVMQRFYKFMIC-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.82
Rot. Bonds5

About 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine

1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine (PubChem CID 131913739) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
PubChem CID131913739
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
SMILESc1cc2nsnc2cc1CNCc1ccc(C2CCCCO2)o1
InChIInChI=1S/C17H19N3O2S/c1-2-8-21-16(3-1)17-7-5-13(22-17)11-18-10-12-4-6-14-15(9-12)20-23-19-14/h4-7,9,16,18H,1-3,8,10-11H2
InChIKeyQXVVMQRFYKFMIC-UHFFFAOYSA-N
XLogP3.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine with MolForge

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Related Compounds

N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine
CID 82357724
N-[[5-(oxan-2-yl)furan-2-yl]methyl]-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 131905510
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 131945851
3-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 163306536
2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline
CID 153360510
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56711474
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937942
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937943
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91840455
N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-cyclopropylpyrimidin-4-amine
CID 131941094

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
The IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine (CID 131913739) is 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine is c1cc2nsnc2cc1CNCc1ccc(C2CCCCO2)o1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
The InChIKey is QXVVMQRFYKFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-8-21-16(3-1)17-7-5-13(22-17)11-18-10-12-4-6-14-15(9-12)20-23-19-14/h4-7,9,16,18H,1-3,8,10-11H2.
What are the key properties of 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine has a molecular weight of 329.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine is sourced from PubChem (CID 131913739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).