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

C12H9FN6OS — CID 42581819

IUPAC5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(F)ccc2-n2cnnn2)n1
InChIInChI=1S/C12H9FN6OS/c1-7-5-21-12(15-7)16-11(20)9-4-8(13)2-3-10(9)19-6-14-17-18-19/h2-6H,1H3,(H,15,16,20)
InChIKeyUCMWLYCFNHZPGO-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.82
Rot. Bonds3

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

5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 42581819) has the molecular formula C12H9FN6OS and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID42581819
Molecular FormulaC12H9FN6OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC Name5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(F)ccc2-n2cnnn2)n1
InChIInChI=1S/C12H9FN6OS/c1-7-5-21-12(15-7)16-11(20)9-4-8(13)2-3-10(9)19-6-14-17-18-19/h2-6H,1H3,(H,15,16,20)
InChIKeyUCMWLYCFNHZPGO-UHFFFAOYSA-N
XLogP1.82
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide (CID 42581819) is 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide is Cc1csc(NC(=O)c2cc(F)ccc2-n2cnnn2)n1.
What is the InChIKey of 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is UCMWLYCFNHZPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6OS/c1-7-5-21-12(15-7)16-11(20)9-4-8(13)2-3-10(9)19-6-14-17-18-19/h2-6H,1H3,(H,15,16,20).
What are the key properties of 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42581819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).