1,5-diphenyltetrazole;2-methyl-1,3-thiazole

C17H15N5S — CID 175112675

IUPAC1,5-diphenyltetrazole;2-methyl-1,3-thiazole
SMILESCc1nccs1.c1ccc(-c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H10N4.C4H5NS/c1-3-7-11(8-4-1)13-14-15-16-17(13)12-9-5-2-6-10-12;1-4-5-2-3-6-4/h1-10H;2-3H,1H3
InChIKeyGGFXSDNEOMHHFJ-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.78
Rot. Bonds2

About 1,5-diphenyltetrazole;2-methyl-1,3-thiazole

1,5-diphenyltetrazole;2-methyl-1,3-thiazole (PubChem CID 175112675) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1,5-diphenyltetrazole;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name1,5-diphenyltetrazole;2-methyl-1,3-thiazole
PubChem CID175112675
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name1,5-diphenyltetrazole;2-methyl-1,3-thiazole
SMILESCc1nccs1.c1ccc(-c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H10N4.C4H5NS/c1-3-7-11(8-4-1)13-14-15-16-17(13)12-9-5-2-6-10-12;1-4-5-2-3-6-4/h1-10H;2-3H,1H3
InChIKeyGGFXSDNEOMHHFJ-UHFFFAOYSA-N
XLogP3.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyltetrazole;2-methyl-1,3-thiazole?
The IUPAC name of 1,5-diphenyltetrazole;2-methyl-1,3-thiazole (CID 175112675) is 1,5-diphenyltetrazole;2-methyl-1,3-thiazole.
What is the SMILES notation for 1,5-diphenyltetrazole;2-methyl-1,3-thiazole?
The canonical SMILES for 1,5-diphenyltetrazole;2-methyl-1,3-thiazole is Cc1nccs1.c1ccc(-c2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1,5-diphenyltetrazole;2-methyl-1,3-thiazole?
The InChIKey is GGFXSDNEOMHHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4.C4H5NS/c1-3-7-11(8-4-1)13-14-15-16-17(13)12-9-5-2-6-10-12;1-4-5-2-3-6-4/h1-10H;2-3H,1H3.
What are the key properties of 1,5-diphenyltetrazole;2-methyl-1,3-thiazole?
1,5-diphenyltetrazole;2-methyl-1,3-thiazole has a molecular weight of 321.41 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyltetrazole;2-methyl-1,3-thiazole is sourced from PubChem (CID 175112675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).