3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine

C16H21N3OS — CID 105152125

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(CCc1ccc2c(c1)CCO2)c1cnns1
InChIInChI=1S/C16H21N3OS/c1-2-8-17-14(16-11-18-19-21-16)5-3-12-4-6-15-13(10-12)7-9-20-15/h4,6,10-11,14,17H,2-3,5,7-9H2,1H3
InChIKeyPWDOKKLTLDQENA-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.15
Rot. Bonds7

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (PubChem CID 105152125) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
PubChem CID105152125
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(CCc1ccc2c(c1)CCO2)c1cnns1
InChIInChI=1S/C16H21N3OS/c1-2-8-17-14(16-11-18-19-21-16)5-3-12-4-6-15-13(10-12)7-9-20-15/h4,6,10-11,14,17H,2-3,5,7-9H2,1H3
InChIKeyPWDOKKLTLDQENA-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65446270
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65445719
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004507
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
CID 65445142
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridazin-4-ylpropyl]hydrazine
CID 105310446
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 115864534
1-(2-chlorofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 106692149
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864488

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (CID 105152125) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is CCCNC(CCc1ccc2c(c1)CCO2)c1cnns1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The InChIKey is PWDOKKLTLDQENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-8-17-14(16-11-18-19-21-16)5-3-12-4-6-15-13(10-12)7-9-20-15/h4,6,10-11,14,17H,2-3,5,7-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine has a molecular weight of 303.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105152125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).