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

C15H15BrN2OS — CID 99964990

IUPAC(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2OS/c1-2-18-14(19)10-20-15(18)11-7-8-17(9-11)13-6-4-3-5-12(13)16/h3-9,15H,2,10H2,1H3/t15-/m0/s1
InChIKeyLHSVLLQATHZKAE-HNNXBMFYSA-N
MW351.27 g/mol
LogP3.83
Rot. Bonds3

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

(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one (PubChem CID 99964990) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
PubChem CID99964990
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2OS/c1-2-18-14(19)10-20-15(18)11-7-8-17(9-11)13-6-4-3-5-12(13)16/h3-9,15H,2,10H2,1H3/t15-/m0/s1
InChIKeyLHSVLLQATHZKAE-HNNXBMFYSA-N
XLogP3.83
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one (CID 99964990) is (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one is CCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Br)c1.
What is the InChIKey of (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
The InChIKey is LHSVLLQATHZKAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-2-18-14(19)10-20-15(18)11-7-8-17(9-11)13-6-4-3-5-12(13)16/h3-9,15H,2,10H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one has a molecular weight of 351.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).