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

C15H15ClN2OS — CID 132650324

IUPAC2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1c1ccn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2OS/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
InChIKeyHSQVINMZGROUBE-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.72
Rot. Bonds3

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

2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one (PubChem CID 132650324) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
PubChem CID132650324
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1c1ccn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2OS/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
InChIKeyHSQVINMZGROUBE-UHFFFAOYSA-N
XLogP3.72
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132650128
3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132655339
(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964984
(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964262
(2S)-3-benzyl-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964306
(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964964
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
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132657219
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one (CID 132650324) is 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one is CCN1C(=O)CSC1c1ccn(-c2ccccc2Cl)c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
The InChIKey is HSQVINMZGROUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/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.
What are the key properties of 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one?
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one has a molecular weight of 306.82 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 132650324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).