2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one

C16H17BrN2O2S — CID 132657219

IUPAC2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CSC1c1ccn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2S/c1-21-9-8-19-15(20)11-22-16(19)12-6-7-18(10-12)14-4-2-13(17)3-5-14/h2-7,10,16H,8-9,11H2,1H3
InChIKeyPLPGUEKAKKJWFU-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.46
Rot. Bonds5

About 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one

2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 132657219) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
PubChem CID132657219
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CSC1c1ccn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2S/c1-21-9-8-19-15(20)11-22-16(19)12-6-7-18(10-12)14-4-2-13(17)3-5-14/h2-7,10,16H,8-9,11H2,1H3
InChIKeyPLPGUEKAKKJWFU-UHFFFAOYSA-N
XLogP3.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132651476
(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964440
2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660640
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one
CID 99964899
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936526
3-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 21204936
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 132650324
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
CID 4645389

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (CID 132657219) is 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is COCCN1C(=O)CSC1c1ccn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is PLPGUEKAKKJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-21-9-8-19-15(20)11-22-16(19)12-6-7-18(10-12)14-4-2-13(17)3-5-14/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 381.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 132657219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).