2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole

C11H10N4S — CID 10955374

IUPAC2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole
SMILES[N-]=[N+]=N[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H10N4S/c12-15-14-10(11-13-6-7-16-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2/t10-/m0/s1
InChIKeyKNLDUZYOURDALF-JTQLQIEISA-N
MW230.30 g/mol
LogP3.74
Rot. Bonds4

About 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole

2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole (PubChem CID 10955374) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole
PubChem CID10955374
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole
SMILES[N-]=[N+]=N[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H10N4S/c12-15-14-10(11-13-6-7-16-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2/t10-/m0/s1
InChIKeyKNLDUZYOURDALF-JTQLQIEISA-N
XLogP3.74
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole (CID 10955374) is 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole is [N-]=[N+]=N[C@@H](Cc1ccccc1)c1nccs1.
What is the InChIKey of 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole?
The InChIKey is KNLDUZYOURDALF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10N4S/c12-15-14-10(11-13-6-7-16-11)8-9-4-2-1-3-5-9/h1-7,10H,8H2/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole?
2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole has a molecular weight of 230.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-azido-2-phenylethyl]-1,3-thiazole is sourced from PubChem (CID 10955374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).