2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline

C12H10FN5S — CID 54863962

IUPAC2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccc(-n2cnnn2)cc1NCc1cccs1
InChIInChI=1S/C12H10FN5S/c13-11-4-3-9(18-8-15-16-17-18)6-12(11)14-7-10-2-1-5-19-10/h1-6,8,14H,7H2
InChIKeyOGMYNOJHSDSIGT-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.47
Rot. Bonds4

About 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline

2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 54863962) has the molecular formula C12H10FN5S and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline
PubChem CID54863962
Molecular FormulaC12H10FN5S
Molecular Weight275.31 g/mol
Exact Mass275.06
IUPAC Name2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccc(-n2cnnn2)cc1NCc1cccs1
InChIInChI=1S/C12H10FN5S/c13-11-4-3-9(18-8-15-16-17-18)6-12(11)14-7-10-2-1-5-19-10/h1-6,8,14H,7H2
InChIKeyOGMYNOJHSDSIGT-UHFFFAOYSA-N
XLogP2.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline (CID 54863962) is 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline is Fc1ccc(-n2cnnn2)cc1NCc1cccs1.
What is the InChIKey of 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is OGMYNOJHSDSIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5S/c13-11-4-3-9(18-8-15-16-17-18)6-12(11)14-7-10-2-1-5-19-10/h1-6,8,14H,7H2.
What are the key properties of 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline?
2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 275.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 54863962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).