4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide

C21H19FN4O4S — CID 4874355

IUPAC4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H19FN4O4S/c1-29-17-8-6-16(7-9-17)26-24-18(21(28)25-10-12-30-13-11-25)20(31-26)23-19(27)14-2-4-15(22)5-3-14/h2-9H,10-13H2,1H3/b23-20-
InChIKeyVEKAEOQXSPQWIK-ATJXCDBQSA-N
MW442.47 g/mol
LogP2.30
Rot. Bonds4

About 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide

4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide (PubChem CID 4874355) has the molecular formula C21H19FN4O4S and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
PubChem CID4874355
Molecular FormulaC21H19FN4O4S
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC Name4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H19FN4O4S/c1-29-17-8-6-16(7-9-17)26-24-18(21(28)25-10-12-30-13-11-25)20(31-26)23-19(27)14-2-4-15(22)5-3-14/h2-9H,10-13H2,1H3/b23-20-
InChIKeyVEKAEOQXSPQWIK-ATJXCDBQSA-N
XLogP2.30
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide (CID 4874355) is 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide is COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The InChIKey is VEKAEOQXSPQWIK-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H19FN4O4S/c1-29-17-8-6-16(7-9-17)26-24-18(21(28)25-10-12-30-13-11-25)20(31-26)23-19(27)14-2-4-15(22)5-3-14/h2-9H,10-13H2,1H3/b23-20-.
What are the key properties of 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide has a molecular weight of 442.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide is sourced from PubChem (CID 4874355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).