2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide

C5ClF3N4OS — CID 15091373

IUPAC2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C5ClF3N4OS/c6-4-11-2(5(7,8)9)1(15-4)3(14)12-13-10
InChIKeyTZPJVNKZSBNOAZ-UHFFFAOYSA-N
MW256.60 g/mol
LogP3.27
Rot. Bonds1

About 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide

2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide (PubChem CID 15091373) has the molecular formula C5ClF3N4OS and a molecular weight of 256.60 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide
PubChem CID15091373
Molecular FormulaC5ClF3N4OS
Molecular Weight256.60 g/mol
Exact Mass255.94
IUPAC Name2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C5ClF3N4OS/c6-4-11-2(5(7,8)9)1(15-4)3(14)12-13-10
InChIKeyTZPJVNKZSBNOAZ-UHFFFAOYSA-N
XLogP3.27
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.60
LogP ≤ 53.27
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-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide (CID 15091373) is 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide is [N-]=[N+]=NC(=O)c1sc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide?
The InChIKey is TZPJVNKZSBNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF3N4OS/c6-4-11-2(5(7,8)9)1(15-4)3(14)12-13-10.
What are the key properties of 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide?
2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide has a molecular weight of 256.60 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl azide is sourced from PubChem (CID 15091373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).