3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide

C15H17N3O5S — CID 53298075

IUPAC3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(CC(C)=O)ns2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O5S/c1-8(19)5-12-16-15(24-18-12)17-14(20)9-6-10(21-2)13(23-4)11(7-9)22-3/h6-7H,5H2,1-4H3,(H,16,17,18,20)
InChIKeyWCKSDRPNBSMOLF-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.95
Rot. Bonds7

About 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide

3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 53298075) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID53298075
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(CC(C)=O)ns2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O5S/c1-8(19)5-12-16-15(24-18-12)17-14(20)9-6-10(21-2)13(23-4)11(7-9)22-3/h6-7H,5H2,1-4H3,(H,16,17,18,20)
InChIKeyWCKSDRPNBSMOLF-UHFFFAOYSA-N
XLogP1.95
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35182220
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
CID 82121906
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide
CID 16651344
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
5-(4-fluorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
CID 1251286
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17424042
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 53298075) is 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is COc1cc(C(=O)Nc2nc(CC(C)=O)ns2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is WCKSDRPNBSMOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-8(19)5-12-16-15(24-18-12)17-14(20)9-6-10(21-2)13(23-4)11(7-9)22-3/h6-7H,5H2,1-4H3,(H,16,17,18,20).
What are the key properties of 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 351.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 53298075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).