1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

C16H17NO2S — CID 7397516

IUPAC1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCS[C@H]1c1ccco1
InChIInChI=1S/C16H17NO2S/c18-15(9-8-13-5-2-1-3-6-13)17-10-12-20-16(17)14-7-4-11-19-14/h1-7,11,16H,8-10,12H2/t16-/m0/s1
InChIKeyDICSFQMDQYGKNU-INIZCTEOSA-N
MW287.38 g/mol
LogP3.49
Rot. Bonds4

About 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (PubChem CID 7397516) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
PubChem CID7397516
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCS[C@H]1c1ccco1
InChIInChI=1S/C16H17NO2S/c18-15(9-8-13-5-2-1-3-6-13)17-10-12-20-16(17)14-7-4-11-19-14/h1-7,11,16H,8-10,12H2/t16-/m0/s1
InChIKeyDICSFQMDQYGKNU-INIZCTEOSA-N
XLogP3.49
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330600
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262
(2S)-N-(4-ethylphenyl)-2-(furan-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7238198
(2R)-N-(2-fluorophenyl)-2-(furan-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7499158
4-[3-[2-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 75516621
1-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 99878870
[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7350041
7-(furan-2-yl)-N-(2-phenylethyl)-1,4-thiazepane-4-carboxamide
CID 90632406
1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 5196917

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (CID 7397516) is 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCS[C@H]1c1ccco1.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is DICSFQMDQYGKNU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-15(9-8-13-5-2-1-3-6-13)17-10-12-20-16(17)14-7-4-11-19-14/h1-7,11,16H,8-10,12H2/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 287.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 7397516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).