6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine

C26H18BrClN2OS2 — CID 3330535

IUPAC6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(S(=O)Cc2ccc(Cl)cc2)sc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H18BrClN2OS2/c27-19-10-8-18(9-11-19)22-14-21(17-4-2-1-3-5-17)23-24(29)26(32-25(23)30-22)33(31)15-16-6-12-20(28)13-7-16/h1-14H,15,29H2
InChIKeyJMINIWJJCKBNMY-UHFFFAOYSA-N
MW553.93 g/mol
LogP7.94
Rot. Bonds5

About 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine

6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 3330535) has the molecular formula C26H18BrClN2OS2 and a molecular weight of 553.93 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID3330535
Molecular FormulaC26H18BrClN2OS2
Molecular Weight553.93 g/mol
Exact Mass551.97
IUPAC Name6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(S(=O)Cc2ccc(Cl)cc2)sc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H18BrClN2OS2/c27-19-10-8-18(9-11-19)22-14-21(17-4-2-1-3-5-17)23-24(29)26(32-25(23)30-22)33(31)15-16-6-12-20(28)13-7-16/h1-14H,15,29H2
InChIKeyJMINIWJJCKBNMY-UHFFFAOYSA-N
XLogP7.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.93
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485859
6-(4-methoxyphenyl)-2-methylsulfinyl-4-phenylthieno[2,3-b]pyridin-3-amine
CID 3332648
2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485864
2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
CID 2439984
2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 157257517
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol
CID 118050770
6-(4-bromophenyl)-2-[2-[(S)-(4-chlorophenyl)methylsulfinyl]ethylsulfanyl]-4-phenylpyridine-3-carbonitrile
CID 92905894
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
2-[[5-[3-amino-2-(2-methoxyethylsulfinyl)-4-phenylthieno[2,3-b]pyridin-6-yl]pyrimidin-2-yl]amino]ethanol
CID 167341638
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
4-amino-6-(4-bromophenyl)-11,13-diphenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carbonitrile
CID 3111144

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine (CID 3330535) is 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine is Nc1c(S(=O)Cc2ccc(Cl)cc2)sc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is JMINIWJJCKBNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrClN2OS2/c27-19-10-8-18(9-11-19)22-14-21(17-4-2-1-3-5-17)23-24(29)26(32-25(23)30-22)33(31)15-16-6-12-20(28)13-7-16/h1-14H,15,29H2.
What are the key properties of 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 553.93 g/mol, XLogP of 7.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 3330535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).