2,5-bis(4-bromophenyl)thiophene-3,4-diamine

C16H12Br2N2S — CID 141233821

IUPAC2,5-bis(4-bromophenyl)thiophene-3,4-diamine
SMILESNc1c(-c2ccc(Br)cc2)sc(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C16H12Br2N2S/c17-11-5-1-9(2-6-11)15-13(19)14(20)16(21-15)10-3-7-12(18)8-4-10/h1-8H,19-20H2
InChIKeyWDMJBDRIWRBLFJ-UHFFFAOYSA-N
MW424.16 g/mol
LogP5.77
Rot. Bonds2

About 2,5-bis(4-bromophenyl)thiophene-3,4-diamine

2,5-bis(4-bromophenyl)thiophene-3,4-diamine (PubChem CID 141233821) has the molecular formula C16H12Br2N2S and a molecular weight of 424.16 g/mol. Its IUPAC name is 2,5-bis(4-bromophenyl)thiophene-3,4-diamine.

Molecular Properties

Compound Name2,5-bis(4-bromophenyl)thiophene-3,4-diamine
PubChem CID141233821
Molecular FormulaC16H12Br2N2S
Molecular Weight424.16 g/mol
Exact Mass421.91
IUPAC Name2,5-bis(4-bromophenyl)thiophene-3,4-diamine
SMILESNc1c(-c2ccc(Br)cc2)sc(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C16H12Br2N2S/c17-11-5-1-9(2-6-11)15-13(19)14(20)16(21-15)10-3-7-12(18)8-4-10/h1-8H,19-20H2
InChIKeyWDMJBDRIWRBLFJ-UHFFFAOYSA-N
XLogP5.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.16
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine
CID 89447556
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 89452945
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
2-(4-bromophenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)thiophene
CID 86090832
O-[4-(4-bromophenyl)phenyl]hydroxylamine
CID 71082038
methyl 4-amino-2-(4-bromophenyl)thiophene-3-carboxylate
CID 58191193
4-[5-(4-bromophenyl)-3,4-diphenylthiophen-2-yl]-N,N-diphenylaniline
CID 139970614
4-[5-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-3,4-dinitrothiophen-2-yl]-N,N-bis(4-bromophenyl)aniline
CID 146441304
5-amino-4-(4-bromophenyl)-3H-1,3-thiazole-2-thione
CID 28805751
2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
CID 174894366
4-bromoaniline;hydroiodide
CID 175433533

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-bromophenyl)thiophene-3,4-diamine?
The IUPAC name of 2,5-bis(4-bromophenyl)thiophene-3,4-diamine (CID 141233821) is 2,5-bis(4-bromophenyl)thiophene-3,4-diamine.
What is the SMILES notation for 2,5-bis(4-bromophenyl)thiophene-3,4-diamine?
The canonical SMILES for 2,5-bis(4-bromophenyl)thiophene-3,4-diamine is Nc1c(-c2ccc(Br)cc2)sc(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 2,5-bis(4-bromophenyl)thiophene-3,4-diamine?
The InChIKey is WDMJBDRIWRBLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2S/c17-11-5-1-9(2-6-11)15-13(19)14(20)16(21-15)10-3-7-12(18)8-4-10/h1-8H,19-20H2.
What are the key properties of 2,5-bis(4-bromophenyl)thiophene-3,4-diamine?
2,5-bis(4-bromophenyl)thiophene-3,4-diamine has a molecular weight of 424.16 g/mol, XLogP of 5.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-bromophenyl)thiophene-3,4-diamine is sourced from PubChem (CID 141233821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).