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

C13H12FN5S — CID 60943899

IUPAC2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(CNc2cc(-n3cnnn3)ccc2F)s1
InChIInChI=1S/C13H12FN5S/c1-9-2-4-11(20-9)7-15-13-6-10(3-5-12(13)14)19-8-16-17-18-19/h2-6,8,15H,7H2,1H3
InChIKeyZSEKEEFNQMZMDA-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.78
Rot. Bonds4

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

2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 60943899) has the molecular formula C13H12FN5S and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID60943899
Molecular FormulaC13H12FN5S
Molecular Weight289.34 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(CNc2cc(-n3cnnn3)ccc2F)s1
InChIInChI=1S/C13H12FN5S/c1-9-2-4-11(20-9)7-15-13-6-10(3-5-12(13)14)19-8-16-17-18-19/h2-6,8,15H,7H2,1H3
InChIKeyZSEKEEFNQMZMDA-UHFFFAOYSA-N
XLogP2.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline (CID 60943899) is 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline is Cc1ccc(CNc2cc(-n3cnnn3)ccc2F)s1.
What is the InChIKey of 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is ZSEKEEFNQMZMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5S/c1-9-2-4-11(20-9)7-15-13-6-10(3-5-12(13)14)19-8-16-17-18-19/h2-6,8,15H,7H2,1H3.
What are the key properties of 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 289.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60943899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).