(2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one

C18H20N2OS — CID 23645379

IUPAC(2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCSC1
InChIInChI=1S/C18H20N2OS/c19-17(18(21)20-10-11-22-13-20)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13,19H2/t17-/m0/s1
InChIKeyXMSIQNYEJWCCQP-KRWDZBQOSA-N
MW312.44 g/mol
LogP2.76
Rot. Bonds4

About (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one

(2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 23645379) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID23645379
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCSC1
InChIInChI=1S/C18H20N2OS/c19-17(18(21)20-10-11-22-13-20)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13,19H2/t17-/m0/s1
InChIKeyXMSIQNYEJWCCQP-KRWDZBQOSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

F 1459
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(2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl]phenyl}ethyl]-2-acetamido-3-phenylpropanamide
CID 9547915
(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine
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CID 23646520
beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
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(2S,3S)-2-amino-3-(4''-fluorobiphenyl-4-yl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
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(2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
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CID 23645374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 23645379) is (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one is N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is XMSIQNYEJWCCQP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2OS/c19-17(18(21)20-10-11-22-13-20)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13,19H2/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 312.44 g/mol, XLogP of 2.76, 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-phenylphenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 23645379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).