3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

C19H17N5O3S — CID 1093484

IUPAC3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c1
InChIInChI=1S/C19H17N5O3S/c1-11-21-22-19-24(11)23-18(28-19)12-5-4-6-14(7-12)20-17(25)13-8-15(26-2)10-16(9-13)27-3/h4-10H,1-3H3,(H,20,25)
InChIKeyGCIADTGXTHXZOO-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.43
Rot. Bonds5

About 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (PubChem CID 1093484) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
PubChem CID1093484
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c1
InChIInChI=1S/C19H17N5O3S/c1-11-21-22-19-24(11)23-18(28-19)12-5-4-6-14(7-12)20-17(25)13-8-15(26-2)10-16(9-13)27-3/h4-10H,1-3H3,(H,20,25)
InChIKeyGCIADTGXTHXZOO-UHFFFAOYSA-N
XLogP3.43
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2219007
N-(2-Methyl-5-{3-methyl-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazol-6-YL}phenyl)-4-propoxybenzamide
CID 4454613
4-methoxy-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4454612
4-isopropoxy-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 1017647
2-methoxy-3-methyl-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4454677
3,5-Dimethoxy-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}benzamide
CID 16021625
3-ethoxy-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4454610
N-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)-3,5-dimethoxybenzamide
CID 16028713
4-ethoxy-N-[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4445787
N-(3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 4972592
3,5-Dimethoxy-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-3-YL}phenyl)benzamide
CID 91889097
2,6-dimethoxy-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 2212659

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide (CID 1093484) is 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
The InChIKey is GCIADTGXTHXZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-11-21-22-19-24(11)23-18(28-19)12-5-4-6-14(7-12)20-17(25)13-8-15(26-2)10-16(9-13)27-3/h4-10H,1-3H3,(H,20,25).
What are the key properties of 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide?
3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide has a molecular weight of 395.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 1093484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).