N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

C14H17N3OS — CID 105180181

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1cnsn1
InChIInChI=1S/C14H17N3OS/c1-2-6-15-14(12-9-16-19-17-12)11-3-4-13-10(8-11)5-7-18-13/h3-4,8-9,14-15H,2,5-7H2,1H3
InChIKeyQYPLYXUJAPTDBO-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.56
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (PubChem CID 105180181) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
PubChem CID105180181
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1cnsn1
InChIInChI=1S/C14H17N3OS/c1-2-6-15-14(12-9-16-19-17-12)11-3-4-13-10(8-11)5-7-18-13/h3-4,8-9,14-15H,2,5-7H2,1H3
InChIKeyQYPLYXUJAPTDBO-UHFFFAOYSA-N
XLogP2.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105141684
N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 104542825
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 102764063
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 43495424
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[2,3-dihydro-1-benzofuran-5-yl(2H-triazol-4-yl)methyl]ethanamine
CID 113425125
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (CID 105180181) is N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCO2)c1cnsn1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The InChIKey is QYPLYXUJAPTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-6-15-14(12-9-16-19-17-12)11-3-4-13-10(8-11)5-7-18-13/h3-4,8-9,14-15H,2,5-7H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine has a molecular weight of 275.38 g/mol, XLogP of 2.56, 5 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-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105180181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).