[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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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
CID 3439384
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 122329052
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
2-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 44785158
(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 4094359
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
CID 100713336
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995

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).