N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine

C17H14N2S — CID 60981068

IUPACN-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine
SMILESc1ccc2c(CNc3ccc4sccc4c3)c[nH]c2c1
InChIInChI=1S/C17H14N2S/c1-2-4-16-15(3-1)13(11-19-16)10-18-14-5-6-17-12(9-14)7-8-20-17/h1-9,11,18-19H,10H2
InChIKeyZXPGLWDDABHFNP-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.99
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine

N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine (PubChem CID 60981068) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine
PubChem CID60981068
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC NameN-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine
SMILESc1ccc2c(CNc3ccc4sccc4c3)c[nH]c2c1
InChIInChI=1S/C17H14N2S/c1-2-4-16-15(3-1)13(11-19-16)10-18-14-5-6-17-12(9-14)7-8-20-17/h1-9,11,18-19H,10H2
InChIKeyZXPGLWDDABHFNP-UHFFFAOYSA-N
XLogP4.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-ylmethyl)quinolin-6-amine
CID 62635279
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
CID 62326498
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
CID 114838759
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
2-[(1-benzothiophen-5-ylamino)methyl]-6-bromophenol
CID 61390955
N-[(2-prop-2-enoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43781925

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine (CID 60981068) is N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine is c1ccc2c(CNc3ccc4sccc4c3)c[nH]c2c1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine?
The InChIKey is ZXPGLWDDABHFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-2-4-16-15(3-1)13(11-19-16)10-18-14-5-6-17-12(9-14)7-8-20-17/h1-9,11,18-19H,10H2.
What are the key properties of N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine?
N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine has a molecular weight of 278.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 60981068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).