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

C14H16N2OS — CID 114745900

IUPACN-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cncs1)c1cccc2c1OCC2
InChIInChI=1S/C14H16N2OS/c1-2-16-13(12-8-15-9-18-12)11-5-3-4-10-6-7-17-14(10)11/h3-5,8-9,13,16H,2,6-7H2,1H3
InChIKeySYFWBPYRVLWEFA-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.78
Rot. Bonds4

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

N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 114745900) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID114745900
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cncs1)c1cccc2c1OCC2
InChIInChI=1S/C14H16N2OS/c1-2-16-13(12-8-15-9-18-12)11-5-3-4-10-6-7-17-14(10)11/h3-5,8-9,13,16H,2,6-7H2,1H3
InChIKeySYFWBPYRVLWEFA-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105189397
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-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 105189422
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918
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-[(5-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114745403
N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804629
3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
CID 114745898

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine (CID 114745900) is N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine is CCNC(c1cncs1)c1cccc2c1OCC2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is SYFWBPYRVLWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-16-13(12-8-15-9-18-12)11-5-3-4-10-6-7-17-14(10)11/h3-5,8-9,13,16H,2,6-7H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 260.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114745900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).