4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole

C10H7N5S — CID 650443

IUPAC4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole
SMILESc1ccc(-c2csc(-n3cnnn3)n2)cc1
InChIInChI=1S/C10H7N5S/c1-2-4-8(5-3-1)9-6-16-10(12-9)15-7-11-13-14-15/h1-7H
InChIKeyYOQYFXSZGBJAJZ-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.79
Rot. Bonds2

About 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole

4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole (PubChem CID 650443) has the molecular formula C10H7N5S and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole
PubChem CID650443
Molecular FormulaC10H7N5S
Molecular Weight229.27 g/mol
Exact Mass229.04
IUPAC Name4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole
SMILESc1ccc(-c2csc(-n3cnnn3)n2)cc1
InChIInChI=1S/C10H7N5S/c1-2-4-8(5-3-1)9-6-16-10(12-9)15-7-11-13-14-15/h1-7H
InChIKeyYOQYFXSZGBJAJZ-UHFFFAOYSA-N
XLogP1.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole (CID 650443) is 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole is c1ccc(-c2csc(-n3cnnn3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole?
The InChIKey is YOQYFXSZGBJAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5S/c1-2-4-8(5-3-1)9-6-16-10(12-9)15-7-11-13-14-15/h1-7H.
What are the key properties of 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole?
4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole has a molecular weight of 229.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(tetrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 650443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).