[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone

C20H16BrNOS2 — CID 122329030

IUPAC[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C20H16BrNOS2/c21-17-9-7-16(8-10-17)20-22(11-13-25-20)19(23)15-5-3-14(4-6-15)18-2-1-12-24-18/h1-10,12,20H,11,13H2
InChIKeyNQSOKXIJJCXZKW-UHFFFAOYSA-N
MW430.39 g/mol
LogP6.07
Rot. Bonds3

About [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone

[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 122329030) has the molecular formula C20H16BrNOS2 and a molecular weight of 430.39 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID122329030
Molecular FormulaC20H16BrNOS2
Molecular Weight430.39 g/mol
Exact Mass428.99
IUPAC Name[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C20H16BrNOS2/c21-17-9-7-16(8-10-17)20-22(11-13-25-20)19(23)15-5-3-14(4-6-15)18-2-1-12-24-18/h1-10,12,20H,11,13H2
InChIKeyNQSOKXIJJCXZKW-UHFFFAOYSA-N
XLogP6.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone (CID 122329030) is [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCSC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is NQSOKXIJJCXZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNOS2/c21-17-9-7-16(8-10-17)20-22(11-13-25-20)19(23)15-5-3-14(4-6-15)18-2-1-12-24-18/h1-10,12,20H,11,13H2.
What are the key properties of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 430.39 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 122329030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).