3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide

C19H17FN4O2S — CID 122599573

IUPAC3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(C)(C(=O)Nc1nsc(-c2cccc(C(N)=O)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c1-19(2,13-6-8-14(20)9-7-13)17(26)23-18-22-16(27-24-18)12-5-3-4-11(10-12)15(21)25/h3-10H,1-2H3,(H2,21,25)(H,23,24,26)
InChIKeyIMKOYYDJVLCDPP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.36
Rot. Bonds5

About 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide

3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 122599573) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID122599573
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(C)(C(=O)Nc1nsc(-c2cccc(C(N)=O)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c1-19(2,13-6-8-14(20)9-7-13)17(26)23-18-22-16(27-24-18)12-5-3-4-11(10-12)15(21)25/h3-10H,1-2H3,(H2,21,25)(H,23,24,26)
InChIKeyIMKOYYDJVLCDPP-UHFFFAOYSA-N
XLogP3.36
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 167932541
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide
CID 2212627
3-[6-[[2-(4-fluorophenyl)acetyl]amino]-3-pyridinyl]benzamide
CID 54591948
N-(4-acetamidophenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197459
2-(4-aminophenyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanamide
CID 114387555
3-[4-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-1,3-thiazol-2-yl]benzamide
CID 47038110
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-4-methylpyridazin-3-yl]benzamide;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(3-isocyanophenyl)-5-methylpyridazin-3-amine
CID 160815357
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide (CID 122599573) is 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide is CC(C)(C(=O)Nc1nsc(-c2cccc(C(N)=O)c2)n1)c1ccc(F)cc1.
What is the InChIKey of 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is IMKOYYDJVLCDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-19(2,13-6-8-14(20)9-7-13)17(26)23-18-22-16(27-24-18)12-5-3-4-11(10-12)15(21)25/h3-10H,1-2H3,(H2,21,25)(H,23,24,26).
What are the key properties of 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide?
3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 122599573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).