3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide

C9H8FN5OS — CID 114914408

IUPAC3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1nnns1
InChIInChI=1S/C9H8FN5OS/c1-11-7-5(3-2-4-6(7)10)8(16)12-9-13-14-15-17-9/h2-4,11H,1H3,(H,12,13,15,16)
InChIKeyDBYMWGWQKHDEDW-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.37
Rot. Bonds3

About 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide

3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide (PubChem CID 114914408) has the molecular formula C9H8FN5OS and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
PubChem CID114914408
Molecular FormulaC9H8FN5OS
Molecular Weight253.26 g/mol
Exact Mass253.04
IUPAC Name3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1nnns1
InChIInChI=1S/C9H8FN5OS/c1-11-7-5(3-2-4-6(7)10)8(16)12-9-13-14-15-17-9/h2-4,11H,1H3,(H,12,13,15,16)
InChIKeyDBYMWGWQKHDEDW-UHFFFAOYSA-N
XLogP1.37
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide (CID 114914408) is 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide is CNc1c(F)cccc1C(=O)Nc1nnns1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide?
The InChIKey is DBYMWGWQKHDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5OS/c1-11-7-5(3-2-4-6(7)10)8(16)12-9-13-14-15-17-9/h2-4,11H,1H3,(H,12,13,15,16).
What are the key properties of 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide?
3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide has a molecular weight of 253.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114914408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).