(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone

C15H14BrNOS2 — CID 4094359

IUPAC(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H14BrNOS2/c1-10-2-7-13(20-10)15-17(8-9-19-15)14(18)11-3-5-12(16)6-4-11/h2-7,15H,8-9H2,1H3
InChIKeyIIKNQWWDUGVIFJ-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.71
Rot. Bonds2

About (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone

(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 4094359) has the molecular formula C15H14BrNOS2 and a molecular weight of 368.32 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
PubChem CID4094359
Molecular FormulaC15H14BrNOS2
Molecular Weight368.32 g/mol
Exact Mass366.97
IUPAC Name(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H14BrNOS2/c1-10-2-7-13(20-10)15-17(8-9-19-15)14(18)11-3-5-12(16)6-4-11/h2-7,15H,8-9H2,1H3
InChIKeyIIKNQWWDUGVIFJ-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
CID 3439384
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331900
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 3630788
[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7347840
(2-chlorophenyl)-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7397507
(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
cyclopentyl-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7237681
1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 7495136
1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 4575525
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4112872
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369
(2R)-2-(5-methylthiophen-2-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7356533

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone (CID 4094359) is (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone is Cc1ccc(C2SCCN2C(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is IIKNQWWDUGVIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS2/c1-10-2-7-13(20-10)15-17(8-9-19-15)14(18)11-3-5-12(16)6-4-11/h2-7,15H,8-9H2,1H3.
What are the key properties of (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone?
(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 368.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 4094359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).