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

C11H12BrNOS — CID 122331900

IUPAC(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNOS/c1-8-13(6-7-15-8)11(14)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyAMPSNTUHFLJCLH-UHFFFAOYSA-N
MW286.19 g/mol
LogP2.98
Rot. Bonds1

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

(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331900) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331900
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNOS/c1-8-13(6-7-15-8)11(14)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyAMPSNTUHFLJCLH-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331652
(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 4094359
(4-butoxyphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331547
(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
CID 3439384
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369
(2-methoxy-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331808

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331900) is (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is CC1SCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is AMPSNTUHFLJCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-8-13(6-7-15-8)11(14)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
(4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 286.19 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).