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

C16H21N3OS — CID 105189422

IUPACN-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1snnc1C(C)C
InChIInChI=1S/C16H21N3OS/c1-4-17-14(16-13(10(2)3)18-19-21-16)12-7-5-6-11-8-9-20-15(11)12/h5-7,10,14,17H,4,8-9H2,1-3H3
InChIKeyNRVRHKUFZVLLSB-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.30
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105189422) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105189422
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2c1OCC2)c1snnc1C(C)C
InChIInChI=1S/C16H21N3OS/c1-4-17-14(16-13(10(2)3)18-19-21-16)12-7-5-6-11-8-9-20-15(11)12/h5-7,10,14,17H,4,8-9H2,1-3H3
InChIKeyNRVRHKUFZVLLSB-UHFFFAOYSA-N
XLogP3.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105189397
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(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
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-thiazol-5-yl)methyl]ethanamine
CID 114745900
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933
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-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105189441
N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 105149394
N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105189348

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (CID 105189422) is N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1cccc2c1OCC2)c1snnc1C(C)C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is NRVRHKUFZVLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-17-14(16-13(10(2)3)18-19-21-16)12-7-5-6-11-8-9-20-15(11)12/h5-7,10,14,17H,4,8-9H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.30, 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-7-yl-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105189422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).