(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one

C21H20N2OS — CID 99964262

IUPAC(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C21H20N2OS/c1-16-7-5-6-10-19(16)22-12-11-18(14-22)21-23(20(24)15-25-21)13-17-8-3-2-4-9-17/h2-12,14,21H,13,15H2,1H3/t21-/m1/s1
InChIKeySPZBFAXASQCIJS-OAQYLSRUSA-N
MW348.47 g/mol
LogP4.56
Rot. Bonds4

About (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one

(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one (PubChem CID 99964262) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
PubChem CID99964262
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C21H20N2OS/c1-16-7-5-6-10-19(16)22-12-11-18(14-22)21-23(20(24)15-25-21)13-17-8-3-2-4-9-17/h2-12,14,21H,13,15H2,1H3/t21-/m1/s1
InChIKeySPZBFAXASQCIJS-OAQYLSRUSA-N
XLogP4.56
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132655339
(2S)-3-benzyl-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964306
2-[1-(2-chlorophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 132650324
3-ethyl-2-[1-(2-ethylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132650128
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964984
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650753
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one (CID 99964262) is (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one is Cc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1.
What is the InChIKey of (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
The InChIKey is SPZBFAXASQCIJS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-7-5-6-10-19(16)22-12-11-18(14-22)21-23(20(24)15-25-21)13-17-8-3-2-4-9-17/h2-12,14,21H,13,15H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one?
(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one has a molecular weight of 348.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).