1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine

C18H17N3OS — CID 166229376

IUPAC1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(-c2ccn[nH]2)o1)c1csc2ccccc12
InChIInChI=1S/C18H17N3OS/c1-12(15-11-23-18-5-3-2-4-14(15)18)19-10-13-6-7-17(22-13)16-8-9-20-21-16/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyNBJUQDULXVJUPP-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.74
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine

1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine (PubChem CID 166229376) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine
PubChem CID166229376
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(-c2ccn[nH]2)o1)c1csc2ccccc12
InChIInChI=1S/C18H17N3OS/c1-12(15-11-23-18-5-3-2-4-14(15)18)19-10-13-6-7-17(22-13)16-8-9-20-21-16/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyNBJUQDULXVJUPP-UHFFFAOYSA-N
XLogP4.74
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994005
N-[1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-2-ylpropan-1-amine
CID 68818161
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
CID 131948316
N-[1-(1-benzothiophen-3-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 68816836
(1R)-1-(1-benzothiophen-3-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
CID 97031531
1-(1-benzothiophen-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 166378510
N'-[1-(1-benzothiophen-3-yl)ethyl]-N-quinolin-2-ylpropane-1,3-diamine
CID 90710081
1-(1-benzothiophen-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 167790798
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
CID 43492304
N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62522793
(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine
CID 70834312
1-(1-benzothiophen-3-yl)-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 166248287

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine (CID 166229376) is 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine is CC(NCc1ccc(-c2ccn[nH]2)o1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is NBJUQDULXVJUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12(15-11-23-18-5-3-2-4-14(15)18)19-10-13-6-7-17(22-13)16-8-9-20-21-16/h2-9,11-12,19H,10H2,1H3,(H,20,21).
What are the key properties of 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine?
1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 323.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 166229376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).