(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one

C18H16N2O2S — CID 99964311

IUPAC(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1
InChIInChI=1S/C18H16N2O2S/c21-17-13-23-18(20(17)12-16-7-4-10-22-16)14-8-9-19(11-14)15-5-2-1-3-6-15/h1-11,18H,12-13H2/t18-/m1/s1
InChIKeyCCIFYNJTPPWPHF-GOSISDBHSA-N
MW324.41 g/mol
LogP3.84
Rot. Bonds4

About (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one

(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one (PubChem CID 99964311) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
PubChem CID99964311
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1
InChIInChI=1S/C18H16N2O2S/c21-17-13-23-18(20(17)12-16-7-4-10-22-16)14-8-9-19(11-14)15-5-2-1-3-6-15/h1-11,18H,12-13H2/t18-/m1/s1
InChIKeyCCIFYNJTPPWPHF-GOSISDBHSA-N
XLogP3.84
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
CID 6482984
(2R)-3-(furan-2-ylmethyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 1190735
3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132655339
(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 43905426
(2R)-3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964262
2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 4256729
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-phenylpropyl]benzamide
CID 30396912
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide
CID 30396915
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one (CID 99964311) is (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1.
What is the InChIKey of (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is CCIFYNJTPPWPHF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-17-13-23-18(20(17)12-16-7-4-10-22-16)14-8-9-19(11-14)15-5-2-1-3-6-15/h1-11,18H,12-13H2/t18-/m1/s1.
What are the key properties of (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one?
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).