4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide

C13H9FN4OS2 — CID 16661886

IUPAC4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2ncns2)cs1
InChIInChI=1S/C13H9FN4OS2/c1-18(12(19)8-2-4-9(14)5-3-8)13-17-10(6-20-13)11-15-7-16-21-11/h2-7H,1H3
InChIKeyGEXBKLIKNVIWJI-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.08
Rot. Bonds3

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

4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16661886) has the molecular formula C13H9FN4OS2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID16661886
Molecular FormulaC13H9FN4OS2
Molecular Weight320.37 g/mol
Exact Mass320.02
IUPAC Name4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-c2ncns2)cs1
InChIInChI=1S/C13H9FN4OS2/c1-18(12(19)8-2-4-9(14)5-3-8)13-17-10(6-20-13)11-15-7-16-21-11/h2-7H,1H3
InChIKeyGEXBKLIKNVIWJI-UHFFFAOYSA-N
XLogP3.08
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-methyl-N-[4-[6-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660294
[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
CID 16659653
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
4-fluoro-N-methyl-N-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16659975
N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
CID 24803039
4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
CID 16660137
4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
CID 24805186
4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
CID 24805014
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
(2E)-2-ethylidenepyrrolidine;4-fluoro-N-methyl-N-[4-(6-oxo-1H-pyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
CID 143430762

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 16661886) is 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide is CN(C(=O)c1ccc(F)cc1)c1nc(-c2ncns2)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GEXBKLIKNVIWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4OS2/c1-18(12(19)8-2-4-9(14)5-3-8)13-17-10(6-20-13)11-15-7-16-21-11/h2-7H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 320.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16661886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).