6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine

C15H10Br2ClNS — CID 102836645

IUPAC6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
SMILESClc1sc(CNc2ccc3cc(Br)ccc3c2)cc1Br
InChIInChI=1S/C15H10Br2ClNS/c16-11-3-1-10-6-12(4-2-9(10)5-11)19-8-13-7-14(17)15(18)20-13/h1-7,19H,8H2
InChIKeyYQDNAXIODPRVLS-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.69
Rot. Bonds3

About 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine

6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine (PubChem CID 102836645) has the molecular formula C15H10Br2ClNS and a molecular weight of 431.58 g/mol. Its IUPAC name is 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
PubChem CID102836645
Molecular FormulaC15H10Br2ClNS
Molecular Weight431.58 g/mol
Exact Mass428.86
IUPAC Name6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
SMILESClc1sc(CNc2ccc3cc(Br)ccc3c2)cc1Br
InChIInChI=1S/C15H10Br2ClNS/c16-11-3-1-10-6-12(4-2-9(10)5-11)19-8-13-7-14(17)15(18)20-13/h1-7,19H,8H2
InChIKeyYQDNAXIODPRVLS-UHFFFAOYSA-N
XLogP6.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine (CID 102836645) is 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine is Clc1sc(CNc2ccc3cc(Br)ccc3c2)cc1Br.
What is the InChIKey of 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine?
The InChIKey is YQDNAXIODPRVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClNS/c16-11-3-1-10-6-12(4-2-9(10)5-11)19-8-13-7-14(17)15(18)20-13/h1-7,19H,8H2.
What are the key properties of 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine has a molecular weight of 431.58 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 102836645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).