2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

C17H15N5S3 — CID 24574257

IUPAC2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESc1ccc(-c2nc(CSc3nnnn3CCc3cccs3)cs2)cc1
InChIInChI=1S/C17H15N5S3/c1-2-5-13(6-3-1)16-18-14(11-24-16)12-25-17-19-20-21-22(17)9-8-15-7-4-10-23-15/h1-7,10-11H,8-9,12H2
InChIKeyUZLBFMVMRGXJAX-UHFFFAOYSA-N
MW385.54 g/mol
LogP4.39
Rot. Bonds7

About 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 24574257) has the molecular formula C17H15N5S3 and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID24574257
Molecular FormulaC17H15N5S3
Molecular Weight385.54 g/mol
Exact Mass385.05
IUPAC Name2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESc1ccc(-c2nc(CSc3nnnn3CCc3cccs3)cs2)cc1
InChIInChI=1S/C17H15N5S3/c1-2-5-13(6-3-1)16-18-14(11-24-16)12-25-17-19-20-21-22(17)9-8-15-7-4-10-23-15/h1-7,10-11H,8-9,12H2
InChIKeyUZLBFMVMRGXJAX-UHFFFAOYSA-N
XLogP4.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (CID 24574257) is 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is c1ccc(-c2nc(CSc3nnnn3CCc3cccs3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is UZLBFMVMRGXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S3/c1-2-5-13(6-3-1)16-18-14(11-24-16)12-25-17-19-20-21-22(17)9-8-15-7-4-10-23-15/h1-7,10-11H,8-9,12H2.
What are the key properties of 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 385.54 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 24574257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).