(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone

C15H15BrN2OS — CID 83212525

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1cc(C)c(Br)s1)CC2
InChIInChI=1S/C15H15BrN2OS/c1-8-5-10-3-4-18(12(10)7-11(8)17)15(19)13-6-9(2)14(16)20-13/h5-7H,3-4,17H2,1-2H3
InChIKeyPUGKHGFEFAQLOC-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.91
Rot. Bonds1

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone (PubChem CID 83212525) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
PubChem CID83212525
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1cc(C)c(Br)s1)CC2
InChIInChI=1S/C15H15BrN2OS/c1-8-5-10-3-4-18(12(10)7-11(8)17)15(19)13-6-9(2)14(16)20-13/h5-7H,3-4,17H2,1-2H3
InChIKeyPUGKHGFEFAQLOC-UHFFFAOYSA-N
XLogP3.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone (CID 83212525) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone is Cc1cc2c(cc1N)N(C(=O)c1cc(C)c(Br)s1)CC2.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The InChIKey is PUGKHGFEFAQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-8-5-10-3-4-18(12(10)7-11(8)17)15(19)13-6-9(2)14(16)20-13/h5-7H,3-4,17H2,1-2H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone has a molecular weight of 351.27 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 83212525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).