2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline

C11H9FN6S — CID 55248918

IUPAC2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESFc1ccc(-n2cnnn2)cc1NCc1nccs1
InChIInChI=1S/C11H9FN6S/c12-9-2-1-8(18-7-15-16-17-18)5-10(9)14-6-11-13-3-4-19-11/h1-5,7,14H,6H2
InChIKeySNFYXRROQCXQJT-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.87
Rot. Bonds4

About 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline

2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 55248918) has the molecular formula C11H9FN6S and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID55248918
Molecular FormulaC11H9FN6S
Molecular Weight276.30 g/mol
Exact Mass276.06
IUPAC Name2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESFc1ccc(-n2cnnn2)cc1NCc1nccs1
InChIInChI=1S/C11H9FN6S/c12-9-2-1-8(18-7-15-16-17-18)5-10(9)14-6-11-13-3-4-19-11/h1-5,7,14H,6H2
InChIKeySNFYXRROQCXQJT-UHFFFAOYSA-N
XLogP1.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline (CID 55248918) is 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline is Fc1ccc(-n2cnnn2)cc1NCc1nccs1.
What is the InChIKey of 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is SNFYXRROQCXQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6S/c12-9-2-1-8(18-7-15-16-17-18)5-10(9)14-6-11-13-3-4-19-11/h1-5,7,14H,6H2.
What are the key properties of 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline?
2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 276.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 55248918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).