N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine

C17H13NS3 — CID 43781971

IUPACN-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine
SMILESc1csc(C(Nc2ccc3sccc3c2)c2cccs2)c1
InChIInChI=1S/C17H13NS3/c1-3-15(19-8-1)17(16-4-2-9-20-16)18-13-5-6-14-12(11-13)7-10-21-14/h1-11,17-18H
InChIKeyCZFVHAUMLHYBJO-UHFFFAOYSA-N
MW327.50 g/mol
LogP6.23
Rot. Bonds4

About N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine

N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine (PubChem CID 43781971) has the molecular formula C17H13NS3 and a molecular weight of 327.50 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine
PubChem CID43781971
Molecular FormulaC17H13NS3
Molecular Weight327.50 g/mol
Exact Mass327.02
IUPAC NameN-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine
SMILESc1csc(C(Nc2ccc3sccc3c2)c2cccs2)c1
InChIInChI=1S/C17H13NS3/c1-3-15(19-8-1)17(16-4-2-9-20-16)18-13-5-6-14-12(11-13)7-10-21-14/h1-11,17-18H
InChIKeyCZFVHAUMLHYBJO-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.50
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004
N-(dithiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43788589
N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
CID 43687757
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
N-(1-phenylpentyl)-1-benzothiophen-5-amine
CID 43781957
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
CID 63434078
N-[1-(2,4,5-trimethylphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687640
2-(1-benzothiophen-5-ylamino)butanenitrile
CID 65475855
N-(1-cyclohexylethyl)-1-benzothiophen-5-amine
CID 43781950
N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687855
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine (CID 43781971) is N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine is c1csc(C(Nc2ccc3sccc3c2)c2cccs2)c1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine?
The InChIKey is CZFVHAUMLHYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NS3/c1-3-15(19-8-1)17(16-4-2-9-20-16)18-13-5-6-14-12(11-13)7-10-21-14/h1-11,17-18H.
What are the key properties of N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine?
N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine has a molecular weight of 327.50 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43781971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).