(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone

C13H9ClN2OS — CID 112526561

IUPAC(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESNc1cccc2ccn(C(=O)c3ccc(Cl)s3)c12
InChIInChI=1S/C13H9ClN2OS/c14-11-5-4-10(18-11)13(17)16-7-6-8-2-1-3-9(15)12(8)16/h1-7H,15H2
InChIKeyHZTSHKNKRBZUSM-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.63
Rot. Bonds1

About (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone

(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 112526561) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID112526561
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESNc1cccc2ccn(C(=O)c3ccc(Cl)s3)c12
InChIInChI=1S/C13H9ClN2OS/c14-11-5-4-10(18-11)13(17)16-7-6-8-2-1-3-9(15)12(8)16/h1-7H,15H2
InChIKeyHZTSHKNKRBZUSM-UHFFFAOYSA-N
XLogP3.63
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone (CID 112526561) is (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone is Nc1cccc2ccn(C(=O)c3ccc(Cl)s3)c12.
What is the InChIKey of (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is HZTSHKNKRBZUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-11-5-4-10(18-11)13(17)16-7-6-8-2-1-3-9(15)12(8)16/h1-7H,15H2.
What are the key properties of (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
(7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 276.75 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-aminoindol-1-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 112526561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).