4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide

C16H12FN3OS — CID 112532789

IUPAC4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(-c3cnns3)cc2)ccc1F
InChIInChI=1S/C16H12FN3OS/c1-10-8-12(4-7-14(10)17)16(21)19-13-5-2-11(3-6-13)15-9-18-20-22-15/h2-9H,1H3,(H,19,21)
InChIKeyVAGCHTWUPRDFKY-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.90
Rot. Bonds3

About 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide

4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide (PubChem CID 112532789) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
PubChem CID112532789
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(-c3cnns3)cc2)ccc1F
InChIInChI=1S/C16H12FN3OS/c1-10-8-12(4-7-14(10)17)16(21)19-13-5-2-11(3-6-13)15-9-18-20-22-15/h2-9H,1H3,(H,19,21)
InChIKeyVAGCHTWUPRDFKY-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532790
2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532788
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 63213093
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 84579277
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide (CID 112532789) is 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(-c3cnns3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The InChIKey is VAGCHTWUPRDFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c1-10-8-12(4-7-14(10)17)16(21)19-13-5-2-11(3-6-13)15-9-18-20-22-15/h2-9H,1H3,(H,19,21).
What are the key properties of 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 112532789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).