2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide

C13H13N5O3S — CID 110401691

IUPAC2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1nn2cnnc2s1
InChIInChI=1S/C13H13N5O3S/c1-20-8-4-3-5-9(21-2)11(8)12(19)14-6-10-17-18-7-15-16-13(18)22-10/h3-5,7H,6H2,1-2H3,(H,14,19)
InChIKeyLLOUUJWBRLDSJO-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.13
Rot. Bonds5

About 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide

2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide (PubChem CID 110401691) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
PubChem CID110401691
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1nn2cnnc2s1
InChIInChI=1S/C13H13N5O3S/c1-20-8-4-3-5-9(21-2)11(8)12(19)14-6-10-17-18-7-15-16-13(18)22-10/h3-5,7H,6H2,1-2H3,(H,14,19)
InChIKeyLLOUUJWBRLDSJO-UHFFFAOYSA-N
XLogP1.13
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401681
phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
CID 110401742
N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385650
2,6-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718905
2-methoxy-5-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401787
3,4,5-trimethoxy-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 25247144
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide
CID 110292490
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide
CID 110401749

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide (CID 110401691) is 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide is COc1cccc(OC)c1C(=O)NCc1nn2cnnc2s1.
What is the InChIKey of 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
The InChIKey is LLOUUJWBRLDSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-20-8-4-3-5-9(21-2)11(8)12(19)14-6-10-17-18-7-15-16-13(18)22-10/h3-5,7H,6H2,1-2H3,(H,14,19).
What are the key properties of 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide?
2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide has a molecular weight of 319.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide is sourced from PubChem (CID 110401691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).