2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline

C14H14FN5S — CID 60943898

IUPAC2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(C(C)Nc2cc(-n3cnnn3)ccc2F)s1
InChIInChI=1S/C14H14FN5S/c1-9-3-6-14(21-9)10(2)17-13-7-11(4-5-12(13)15)20-8-16-18-19-20/h3-8,10,17H,1-2H3
InChIKeyAZKIEWWFLLERQX-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.34
Rot. Bonds4

About 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline

2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline (PubChem CID 60943898) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
PubChem CID60943898
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC Name2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(C(C)Nc2cc(-n3cnnn3)ccc2F)s1
InChIInChI=1S/C14H14FN5S/c1-9-3-6-14(21-9)10(2)17-13-7-11(4-5-12(13)15)20-8-16-18-19-20/h3-8,10,17H,1-2H3
InChIKeyAZKIEWWFLLERQX-UHFFFAOYSA-N
XLogP3.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline (CID 60943898) is 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline is Cc1ccc(C(C)Nc2cc(-n3cnnn3)ccc2F)s1.
What is the InChIKey of 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is AZKIEWWFLLERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c1-9-3-6-14(21-9)10(2)17-13-7-11(4-5-12(13)15)20-8-16-18-19-20/h3-8,10,17H,1-2H3.
What are the key properties of 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline?
2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 303.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60943898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).