(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one

C18H19FN2OS — CID 23645389

IUPAC(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCSC1
InChIInChI=1S/C18H19FN2OS/c19-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(20)18(22)21-9-10-23-12-21/h1-8,17H,9-12,20H2/t17-/m0/s1
InChIKeyRGGOWGMGSPCDIV-KRWDZBQOSA-N
MW330.43 g/mol
LogP2.90
Rot. Bonds4

About (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one

(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 23645389) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID23645389
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCSC1
InChIInChI=1S/C18H19FN2OS/c19-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(20)18(22)21-9-10-23-12-21/h1-8,17H,9-12,20H2/t17-/m0/s1
InChIKeyRGGOWGMGSPCDIV-KRWDZBQOSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 23645389) is (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one is N[C@@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is RGGOWGMGSPCDIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN2OS/c19-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(20)18(22)21-9-10-23-12-21/h1-8,17H,9-12,20H2/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 23645389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).