5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide

C11H8FN7OS — CID 51043698

IUPAC5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(F)ccc2-n2cnnn2)s1
InChIInChI=1S/C11H8FN7OS/c1-6-15-16-11(21-6)14-10(20)8-4-7(12)2-3-9(8)19-5-13-17-18-19/h2-5H,1H3,(H,14,16,20)
InChIKeyQQRHQUCPNRWSPR-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.21
Rot. Bonds3

About 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide

5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 51043698) has the molecular formula C11H8FN7OS and a molecular weight of 305.30 g/mol. Its IUPAC name is 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID51043698
Molecular FormulaC11H8FN7OS
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(F)ccc2-n2cnnn2)s1
InChIInChI=1S/C11H8FN7OS/c1-6-15-16-11(21-6)14-10(20)8-4-7(12)2-3-9(8)19-5-13-17-18-19/h2-5H,1H3,(H,14,16,20)
InChIKeyQQRHQUCPNRWSPR-UHFFFAOYSA-N
XLogP1.21
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide (CID 51043698) is 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide is Cc1nnc(NC(=O)c2cc(F)ccc2-n2cnnn2)s1.
What is the InChIKey of 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is QQRHQUCPNRWSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN7OS/c1-6-15-16-11(21-6)14-10(20)8-4-7(12)2-3-9(8)19-5-13-17-18-19/h2-5H,1H3,(H,14,16,20).
What are the key properties of 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 305.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51043698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).