4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole

C11H12N3O2S2- — CID 146213494

IUPAC4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole
SMILESN[C@@H](Cc1ccc(NS(=O)[O-])cc1)c1cscn1
InChIInChI=1S/C11H13N3O2S2/c12-10(11-6-17-7-13-11)5-8-1-3-9(4-2-8)14-18(15)16/h1-4,6-7,10,14H,5,12H2,(H,15,16)/p-1/t10-/m0/s1
InChIKeyJRJPDJKSHVYHFP-JTQLQIEISA-M
MW282.37 g/mol
LogP1.59
Rot. Bonds5

About 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole

4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole (PubChem CID 146213494) has the molecular formula C11H12N3O2S2- and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole
PubChem CID146213494
Molecular FormulaC11H12N3O2S2-
Molecular Weight282.37 g/mol
Exact Mass282.04
IUPAC Name4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole
SMILESN[C@@H](Cc1ccc(NS(=O)[O-])cc1)c1cscn1
InChIInChI=1S/C11H13N3O2S2/c12-10(11-6-17-7-13-11)5-8-1-3-9(4-2-8)14-18(15)16/h1-4,6-7,10,14H,5,12H2,(H,15,16)/p-1/t10-/m0/s1
InChIKeyJRJPDJKSHVYHFP-JTQLQIEISA-M
XLogP1.59
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 103040328
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
4-[(1S)-1-(benzylsulfonylamino)-2-[4-(sulfinatoamino)phenyl]ethyl]-2-ethyl-1,3-thiazole
CID 134426511
[2-(4-iodophenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
CID 105254388
2-(5-bromo-2-pyridinyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 104803490
[2-(4-propan-2-ylphenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
CID 105254254
4-amino-4-(1,3-thiazol-4-yl)butanoic acid
CID 82602298
2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 102619185
2-[(1S)-1-(2,2-dimethylpropanoylamino)-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole
CID 146213394
(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 78923574
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982
[1-(1,3-thiazol-4-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105254496

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole?
The IUPAC name of 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole (CID 146213494) is 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole is N[C@@H](Cc1ccc(NS(=O)[O-])cc1)c1cscn1.
What is the InChIKey of 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole?
The InChIKey is JRJPDJKSHVYHFP-JTQLQIEISA-M. The full InChI is InChI=1S/C11H13N3O2S2/c12-10(11-6-17-7-13-11)5-8-1-3-9(4-2-8)14-18(15)16/h1-4,6-7,10,14H,5,12H2,(H,15,16)/p-1/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole?
4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole has a molecular weight of 282.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-[4-(sulfinatoamino)phenyl]ethyl]-1,3-thiazole is sourced from PubChem (CID 146213494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).