[4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

C17H12N6O2S — CID 16563186

IUPAC[4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2ccccn2)n1)Oc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H12N6O2S/c24-16(9-12-10-26-17(20-12)15-3-1-2-8-18-15)25-14-6-4-13(5-7-14)23-11-19-21-22-23/h1-8,10-11H,9H2
InChIKeyUUMDTIVWRPIGHV-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.33
Rot. Bonds5

About [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

[4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 16563186) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID16563186
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC Name[4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2ccccn2)n1)Oc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H12N6O2S/c24-16(9-12-10-26-17(20-12)15-3-1-2-8-18-15)25-14-6-4-13(5-7-14)23-11-19-21-22-23/h1-8,10-11H,9H2
InChIKeyUUMDTIVWRPIGHV-UHFFFAOYSA-N
XLogP2.33
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (CID 16563186) is [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2ccccn2)n1)Oc1ccc(-n2cnnn2)cc1.
What is the InChIKey of [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is UUMDTIVWRPIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2S/c24-16(9-12-10-26-17(20-12)15-3-1-2-8-18-15)25-14-6-4-13(5-7-14)23-11-19-21-22-23/h1-8,10-11H,9H2.
What are the key properties of [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
[4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 364.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tetrazol-1-yl)phenyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 16563186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).