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

C12H15IN2OS — CID 23645384

IUPAC(2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1
InChIInChI=1S/C12H15IN2OS/c13-10-3-1-9(2-4-10)7-11(14)12(16)15-5-6-17-8-15/h1-4,11H,5-8,14H2/t11-/m0/s1
InChIKeyIVWFQGAVBNFSRW-NSHDSACASA-N
MW362.24 g/mol
LogP1.69
Rot. Bonds3

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

(2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 23645384) has the molecular formula C12H15IN2OS and a molecular weight of 362.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID23645384
Molecular FormulaC12H15IN2OS
Molecular Weight362.24 g/mol
Exact Mass361.99
IUPAC Name(2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1
InChIInChI=1S/C12H15IN2OS/c13-10-3-1-9(2-4-10)7-11(14)12(16)15-5-6-17-8-15/h1-4,11H,5-8,14H2/t11-/m0/s1
InChIKeyIVWFQGAVBNFSRW-NSHDSACASA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 23645384) is (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one is N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1.
What is the InChIKey of (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is IVWFQGAVBNFSRW-NSHDSACASA-N. The full InChI is InChI=1S/C12H15IN2OS/c13-10-3-1-9(2-4-10)7-11(14)12(16)15-5-6-17-8-15/h1-4,11H,5-8,14H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one?
(2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 362.24 g/mol, XLogP of 1.69, 3 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-iodophenyl)-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 23645384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).