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

C12H9FN6OS — CID 29135682

IUPAC4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(F)cc2-n2cnnn2)s1
InChIInChI=1S/C12H9FN6OS/c1-7-5-14-12(21-7)16-11(20)9-3-2-8(13)4-10(9)19-6-15-17-18-19/h2-6H,1H3,(H,14,16,20)
InChIKeyYIIPKHKOMZYZML-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.82
Rot. Bonds3

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

4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 29135682) has the molecular formula C12H9FN6OS and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID29135682
Molecular FormulaC12H9FN6OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC Name4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(F)cc2-n2cnnn2)s1
InChIInChI=1S/C12H9FN6OS/c1-7-5-14-12(21-7)16-11(20)9-3-2-8(13)4-10(9)19-6-15-17-18-19/h2-6H,1H3,(H,14,16,20)
InChIKeyYIIPKHKOMZYZML-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 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide (CID 29135682) is 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide is Cc1cnc(NC(=O)c2ccc(F)cc2-n2cnnn2)s1.
What is the InChIKey of 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is YIIPKHKOMZYZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6OS/c1-7-5-14-12(21-7)16-11(20)9-3-2-8(13)4-10(9)19-6-15-17-18-19/h2-6H,1H3,(H,14,16,20).
What are the key properties of 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
4-fluoro-N-(5-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 4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29135682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).