5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole

C15H13BrN4OS — CID 139774000

IUPAC5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnc(/C=C/c3cc(Br)cs3)n2)cc1
InChIInChI=1S/C15H13BrN4OS/c1-21-13-4-2-11(3-5-13)9-20-18-15(17-19-20)7-6-14-8-12(16)10-22-14/h2-8,10H,9H2,1H3/b7-6+
InChIKeyCMZWYSYMKXDXJA-VOTSOKGWSA-N
MW377.27 g/mol
LogP3.72
Rot. Bonds5

About 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole

5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole (PubChem CID 139774000) has the molecular formula C15H13BrN4OS and a molecular weight of 377.27 g/mol. Its IUPAC name is 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole
PubChem CID139774000
Molecular FormulaC15H13BrN4OS
Molecular Weight377.27 g/mol
Exact Mass376.00
IUPAC Name5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnc(/C=C/c3cc(Br)cs3)n2)cc1
InChIInChI=1S/C15H13BrN4OS/c1-21-13-4-2-11(3-5-13)9-20-18-15(17-19-20)7-6-14-8-12(16)10-22-14/h2-8,10H,9H2,1H3/b7-6+
InChIKeyCMZWYSYMKXDXJA-VOTSOKGWSA-N
XLogP3.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine
CID 139773721
(E)-2-fluoro-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]prop-2-enoic acid
CID 139773562
5-(3,5-diiodophenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773840
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
5-[5-bromo-1-(3,5-dichlorophenyl)pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029730
5-[1-(2,4-dichlorophenyl)-3-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90033989
5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90021074
1-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9176241
S-[2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl] ethanethioate
CID 176706608
5-(3-ethynylphenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773547
2-bromo-4-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pyridine
CID 86680800
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 154467582

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole (CID 139774000) is 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole is COc1ccc(Cn2nnc(/C=C/c3cc(Br)cs3)n2)cc1.
What is the InChIKey of 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole?
The InChIKey is CMZWYSYMKXDXJA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13BrN4OS/c1-21-13-4-2-11(3-5-13)9-20-18-15(17-19-20)7-6-14-8-12(16)10-22-14/h2-8,10H,9H2,1H3/b7-6+.
What are the key properties of 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole?
5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole has a molecular weight of 377.27 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 139774000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).