2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone

C16H16N4OS — CID 7490125

IUPAC2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone
SMILESCC(C)c1ccc(-c2nnn(CC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H16N4OS/c1-11(2)12-5-7-13(8-6-12)16-17-19-20(18-16)10-14(21)15-4-3-9-22-15/h3-9,11H,10H2,1-2H3
InChIKeyTWQLDUTZJGPDRA-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.41
Rot. Bonds5

About 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone

2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone (PubChem CID 7490125) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone
PubChem CID7490125
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone
SMILESCC(C)c1ccc(-c2nnn(CC(=O)c3cccs3)n2)cc1
InChIInChI=1S/C16H16N4OS/c1-11(2)12-5-7-13(8-6-12)16-17-19-20(18-16)10-14(21)15-4-3-9-22-15/h3-9,11H,10H2,1-2H3
InChIKeyTWQLDUTZJGPDRA-UHFFFAOYSA-N
XLogP3.41
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 7489431
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 860141
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46607871
N-[4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]phenyl]hexanamide
CID 7489574
N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589056
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone (CID 7490125) is 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone is CC(C)c1ccc(-c2nnn(CC(=O)c3cccs3)n2)cc1.
What is the InChIKey of 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
The InChIKey is TWQLDUTZJGPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11(2)12-5-7-13(8-6-12)16-17-19-20(18-16)10-14(21)15-4-3-9-22-15/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone has a molecular weight of 312.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 7490125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).