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

C13H12FN7OS — CID 51043099

IUPAC5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cc(F)ccc2-n2cnnn2)s1
InChIInChI=1S/C13H12FN7OS/c1-7(2)12-17-18-13(23-12)16-11(22)9-5-8(14)3-4-10(9)21-6-15-19-20-21/h3-7H,1-2H3,(H,16,18,22)
InChIKeyKHISDXMCIGVCHE-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.03
Rot. Bonds4

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

5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 51043099) has the molecular formula C13H12FN7OS and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID51043099
Molecular FormulaC13H12FN7OS
Molecular Weight333.35 g/mol
Exact Mass333.08
IUPAC Name5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cc(F)ccc2-n2cnnn2)s1
InChIInChI=1S/C13H12FN7OS/c1-7(2)12-17-18-13(23-12)16-11(22)9-5-8(14)3-4-10(9)21-6-15-19-20-21/h3-7H,1-2H3,(H,16,18,22)
InChIKeyKHISDXMCIGVCHE-UHFFFAOYSA-N
XLogP2.03
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.03
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-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide (CID 51043099) is 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide is CC(C)c1nnc(NC(=O)c2cc(F)ccc2-n2cnnn2)s1.
What is the InChIKey of 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is KHISDXMCIGVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN7OS/c1-7(2)12-17-18-13(23-12)16-11(22)9-5-8(14)3-4-10(9)21-6-15-19-20-21/h3-7H,1-2H3,(H,16,18,22).
What are the key properties of 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 333.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51043099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).