2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole

C17H15N5OS — CID 155387899

IUPAC2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3ccccc3)N(c3nccs3)N2)cc1
InChIInChI=1S/C17H15N5OS/c1-23-15-9-7-13(8-10-15)16-19-21(14-5-3-2-4-6-14)22(20-16)17-18-11-12-24-17/h2-12H,1H3,(H,19,20)
InChIKeyUVGPAXBEUCFYLA-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.26
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole

2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole (PubChem CID 155387899) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole
PubChem CID155387899
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3ccccc3)N(c3nccs3)N2)cc1
InChIInChI=1S/C17H15N5OS/c1-23-15-9-7-13(8-10-15)16-19-21(14-5-3-2-4-6-14)22(20-16)17-18-11-12-24-17/h2-12H,1H3,(H,19,20)
InChIKeyUVGPAXBEUCFYLA-UHFFFAOYSA-N
XLogP3.26
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole (CID 155387899) is 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole is COc1ccc(C2=NN(c3ccccc3)N(c3nccs3)N2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole?
The InChIKey is UVGPAXBEUCFYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-23-15-9-7-13(8-10-15)16-19-21(14-5-3-2-4-6-14)22(20-16)17-18-11-12-24-17/h2-12H,1H3,(H,19,20).
What are the key properties of 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole?
2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole has a molecular weight of 337.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-phenyl-1H-tetrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 155387899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).