2-(1-benzothiophen-3-yl)-1-methylpyrrole

C13H11NS — CID 134861873

IUPAC2-(1-benzothiophen-3-yl)-1-methylpyrrole
SMILESCn1cccc1-c1csc2ccccc12
InChIInChI=1S/C13H11NS/c1-14-8-4-6-12(14)11-9-15-13-7-3-2-5-10(11)13/h2-9H,1H3
InChIKeyLNCKWVHNTZCIDR-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.91
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-1-methylpyrrole

2-(1-benzothiophen-3-yl)-1-methylpyrrole (PubChem CID 134861873) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-methylpyrrole
PubChem CID134861873
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name2-(1-benzothiophen-3-yl)-1-methylpyrrole
SMILESCn1cccc1-c1csc2ccccc12
InChIInChI=1S/C13H11NS/c1-14-8-4-6-12(14)11-9-15-13-7-3-2-5-10(11)13/h2-9H,1H3
InChIKeyLNCKWVHNTZCIDR-UHFFFAOYSA-N
XLogP3.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-tris[4-(1-benzothiophen-3-yl)phenyl]aniline
CID 164744658
3-(2-methoxyphenyl)-1-benzothiophene
CID 3358919
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
3-methyl-1-benzothiophene;zinc
CID 70563074
1-N,4-N-bis[4-(1-benzothiophen-3-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59720651
4-(1-benzothiophen-3-yl)benzaldehyde
CID 3358917
4-N-[4-(1-benzothiophen-3-yl)phenyl]-4-N-[4-[4-[4-(1-benzothiophen-3-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59720656
N-[4-(1-benzothiophen-3-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59720641
1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole
CID 4645094
2,7-bis[4-[4-(1-benzothiophen-3-yl)-3-methylphenyl]phenyl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 156519733
3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056
[5-(1-benzothiophen-3-yl)-4-bromo-2-methylpyrazol-3-yl]methanamine
CID 84604894

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-methylpyrrole?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-methylpyrrole (CID 134861873) is 2-(1-benzothiophen-3-yl)-1-methylpyrrole.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-methylpyrrole?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-methylpyrrole is Cn1cccc1-c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-methylpyrrole?
The InChIKey is LNCKWVHNTZCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-14-8-4-6-12(14)11-9-15-13-7-3-2-5-10(11)13/h2-9H,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-methylpyrrole?
2-(1-benzothiophen-3-yl)-1-methylpyrrole has a molecular weight of 213.31 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-methylpyrrole is sourced from PubChem (CID 134861873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).