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

C14H12BrNOS2 — CID 3439384

IUPAC(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCSC1c1cccs1
InChIInChI=1S/C14H12BrNOS2/c15-11-5-3-10(4-6-11)13(17)16-7-9-19-14(16)12-2-1-8-18-12/h1-6,8,14H,7,9H2
InChIKeyLMAHOVSBUSODHZ-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.40
Rot. Bonds2

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

(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone (PubChem CID 3439384) has the molecular formula C14H12BrNOS2 and a molecular weight of 354.29 g/mol. Its IUPAC name is (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
PubChem CID3439384
Molecular FormulaC14H12BrNOS2
Molecular Weight354.29 g/mol
Exact Mass352.95
IUPAC Name(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCSC1c1cccs1
InChIInChI=1S/C14H12BrNOS2/c15-11-5-3-10(4-6-11)13(17)16-7-9-19-14(16)12-2-1-8-18-12/h1-6,8,14H,7,9H2
InChIKeyLMAHOVSBUSODHZ-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122329030
(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 4094359
(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 7360731
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
N,N-dimethyl-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 42781016
2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 5210952
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369
(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 122329052
2-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 44785158
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone (CID 3439384) is (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone is O=C(c1ccc(Br)cc1)N1CCSC1c1cccs1.
What is the InChIKey of (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is LMAHOVSBUSODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNOS2/c15-11-5-3-10(4-6-11)13(17)16-7-9-19-14(16)12-2-1-8-18-12/h1-6,8,14H,7,9H2.
What are the key properties of (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone?
(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 354.29 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 3439384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).