3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide

C24H26N4O7S — CID 4979562

IUPAC3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1
InChIInChI=1S/C24H26N4O7S/c1-31-17-7-5-16(6-8-17)28-26-20(24(30)27-9-11-35-12-10-27)23(36-28)25-22(29)15-13-18(32-2)21(34-4)19(14-15)33-3/h5-8,13-14H,9-12H2,1-4H3/b25-23-
InChIKeyFWDCPRAKGPLWCI-BZZOAKBMSA-N
MW514.56 g/mol
LogP2.18
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide

3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide (PubChem CID 4979562) has the molecular formula C24H26N4O7S and a molecular weight of 514.56 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
PubChem CID4979562
Molecular FormulaC24H26N4O7S
Molecular Weight514.56 g/mol
Exact Mass514.15
IUPAC Name3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1
InChIInChI=1S/C24H26N4O7S/c1-31-17-7-5-16(6-8-17)28-26-20(24(30)27-9-11-35-12-10-27)23(36-28)25-22(29)15-13-18(32-2)21(34-4)19(14-15)33-3/h5-8,13-14H,9-12H2,1-4H3/b25-23-
InChIKeyFWDCPRAKGPLWCI-BZZOAKBMSA-N
XLogP2.18
TPSA113.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 4874355
4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 17038448
N-[2-(4-chlorophenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 4874346
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-(4-methoxyphenoxy)-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone
CID 2877882
morpholin-4-yl-[4-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]methanone
CID 42670236
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28760
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
morpholin-4-yl-(5,6,7-trimethoxy-3,4-dihydronaphthalen-2-yl)methanone
CID 110181392
3,3-bis(4-methoxyphenyl)-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 19421626

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide (CID 4979562) is 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide is COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
The InChIKey is FWDCPRAKGPLWCI-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H26N4O7S/c1-31-17-7-5-16(6-8-17)28-26-20(24(30)27-9-11-35-12-10-27)23(36-28)25-22(29)15-13-18(32-2)21(34-4)19(14-15)33-3/h5-8,13-14H,9-12H2,1-4H3/b25-23-.
What are the key properties of 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide?
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide has a molecular weight of 514.56 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide is sourced from PubChem (CID 4979562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).