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

C18H18F2N2OS — CID 23645390

IUPAC(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccc(F)cc2F)cc1)C(=O)N1CCSC1
InChIInChI=1S/C18H18F2N2OS/c19-14-5-6-15(16(20)10-14)13-3-1-12(2-4-13)9-17(21)18(23)22-7-8-24-11-22/h1-6,10,17H,7-9,11,21H2/t17-/m0/s1
InChIKeyXHAHNYVESLHKHO-KRWDZBQOSA-N
MW348.42 g/mol
LogP3.03
Rot. Bonds4

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

(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 23645390) has the molecular formula C18H18F2N2OS and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID23645390
Molecular FormulaC18H18F2N2OS
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccc(F)cc2F)cc1)C(=O)N1CCSC1
InChIInChI=1S/C18H18F2N2OS/c19-14-5-6-15(16(20)10-14)13-3-1-12(2-4-13)9-17(21)18(23)22-7-8-24-11-22/h1-6,10,17H,7-9,11,21H2/t17-/m0/s1
InChIKeyXHAHNYVESLHKHO-KRWDZBQOSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.03
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-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 23645390) is (2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one is N[C@@H](Cc1ccc(-c2ccc(F)cc2F)cc1)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is XHAHNYVESLHKHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F2N2OS/c19-14-5-6-15(16(20)10-14)13-3-1-12(2-4-13)9-17(21)18(23)22-7-8-24-11-22/h1-6,10,17H,7-9,11,21H2/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 348.42 g/mol, XLogP of 3.03, 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-(2,4-difluorophenyl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 23645390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).