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

C21H19ClN4O4S — CID 17038448

IUPAC4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C21H19ClN4O4S/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-
InChIKeyRCPQXPOQURPTAE-ATJXCDBQSA-N
MW458.93 g/mol
LogP2.81
Rot. Bonds4

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

4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide (PubChem CID 17038448) has the molecular formula C21H19ClN4O4S and a molecular weight of 458.93 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
PubChem CID17038448
Molecular FormulaC21H19ClN4O4S
Molecular Weight458.93 g/mol
Exact Mass458.08
IUPAC Name4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C21H19ClN4O4S/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-
InChIKeyRCPQXPOQURPTAE-ATJXCDBQSA-N
XLogP2.81
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.93
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 4874355
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 4979562
5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide
CID 1493673
N-[2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 4874346
5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide
CID 1493672
(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide
CID 22308288
2,4-dichloro-N-[2-(4-chlorophenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzamide
CID 4979626
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(4-chlorophenyl)-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]methanone
CID 4073094
N-[2-(4-chlorophenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]-1-(4-fluorophenyl)-5-phenyltriazole-4-carboxamide
CID 17038416
4-[(3-chlorophenyl)methyl]-2-(4-methoxyphenyl)-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 46005216
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide (CID 17038448) is 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide is COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The InChIKey is RCPQXPOQURPTAE-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H19ClN4O4S/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-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide has a molecular weight of 458.93 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide is sourced from PubChem (CID 17038448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).