N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine

C14H17N3OS — CID 105189397

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1snnc1C
InChIInChI=1S/C14H17N3OS/c1-3-15-12(14-9(2)16-17-19-14)11-6-4-5-10-7-8-18-13(10)11/h4-6,12,15H,3,7-8H2,1-2H3
InChIKeyYQTDGUXXPXEOJN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.48
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105189397) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105189397
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1snnc1C
InChIInChI=1S/C14H17N3OS/c1-3-15-12(14-9(2)16-17-19-14)11-6-4-5-10-7-8-18-13(10)11/h4-6,12,15H,3,7-8H2,1-2H3
InChIKeyYQTDGUXXPXEOJN-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 105189422
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105189321
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804629
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
CID 105141334
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492
N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
CID 114745900
N-[2,3-dihydro-1-benzofuran-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105189441
N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105189348
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 105189397) is N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1cccc2c1OCC2)c1snnc1C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is YQTDGUXXPXEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-15-12(14-9(2)16-17-19-14)11-6-4-5-10-7-8-18-13(10)11/h4-6,12,15H,3,7-8H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 275.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105189397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).