2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole

C13H11FN4OS — CID 9355630

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole
SMILESCOc1ccc(Cn2nnc(-c3cccs3)n2)cc1F
InChIInChI=1S/C13H11FN4OS/c1-19-11-5-4-9(7-10(11)14)8-18-16-13(15-17-18)12-3-2-6-20-12/h2-7H,8H2,1H3
InChIKeyDBTADDWTQINMDQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.60
Rot. Bonds4

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole

2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole (PubChem CID 9355630) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole
PubChem CID9355630
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole
SMILESCOc1ccc(Cn2nnc(-c3cccs3)n2)cc1F
InChIInChI=1S/C13H11FN4OS/c1-19-11-5-4-9(7-10(11)14)8-18-16-13(15-17-18)12-3-2-6-20-12/h2-7H,8H2,1H3
InChIKeyDBTADDWTQINMDQ-UHFFFAOYSA-N
XLogP2.60
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole
CID 36651321
[2-methoxy-5-[[(3S)-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperidin-1-yl]methyl]phenyl]methanol
CID 92597382
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78880496
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 51207708
2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
CID 19798533
3-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 39457425
3-[3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide
CID 18166835
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55957237
5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
CID 97019005

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole (CID 9355630) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole is COc1ccc(Cn2nnc(-c3cccs3)n2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole?
The InChIKey is DBTADDWTQINMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c1-19-11-5-4-9(7-10(11)14)8-18-16-13(15-17-18)12-3-2-6-20-12/h2-7H,8H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole?
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole has a molecular weight of 290.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole is sourced from PubChem (CID 9355630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).