trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide

C7H6N4OS — CID 90395362

IUPACtrans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@H]1C[C@@H]1c1cncs1
InChIInChI=1S/C7H6N4OS/c8-11-10-7(12)5-1-4(5)6-2-9-3-13-6/h2-5H,1H2/t4-,5-/m0/s1
InChIKeyPEUTXOIMCBEYSK-WHFBIAKZSA-N
MW194.22 g/mol
LogP2.08
Rot. Bonds2

About trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide

trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide (PubChem CID 90395362) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide
PubChem CID90395362
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Nametrans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@H]1C[C@@H]1c1cncs1
InChIInChI=1S/C7H6N4OS/c8-11-10-7(12)5-1-4(5)6-2-9-3-13-6/h2-5H,1H2/t4-,5-/m0/s1
InChIKeyPEUTXOIMCBEYSK-WHFBIAKZSA-N
XLogP2.08
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.08
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 trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide?
The IUPAC name of trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide (CID 90395362) is trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide.
What is the SMILES notation for trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide?
The canonical SMILES for trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide is [N-]=[N+]=NC(=O)[C@H]1C[C@@H]1c1cncs1.
What is the InChIKey of trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide?
The InChIKey is PEUTXOIMCBEYSK-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-11-10-7(12)5-1-4(5)6-2-9-3-13-6/h2-5H,1H2/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide?
trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide has a molecular weight of 194.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide is sourced from PubChem (CID 90395362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).