N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide

C18H25N3O4S — CID 70528120

IUPACN-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide
SMILESCCCC(CC)c1nnc(NC(=O)c2c(OC)cc(OC)cc2OC)s1
InChIInChI=1S/C18H25N3O4S/c1-6-8-11(7-2)17-20-21-18(26-17)19-16(22)15-13(24-4)9-12(23-3)10-14(15)25-5/h9-11H,6-8H2,1-5H3,(H,19,21,22)
InChIKeyHVXRYNBEJJCFLA-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.11
Rot. Bonds9

About N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide

N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide (PubChem CID 70528120) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide
PubChem CID70528120
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide
SMILESCCCC(CC)c1nnc(NC(=O)c2c(OC)cc(OC)cc2OC)s1
InChIInChI=1S/C18H25N3O4S/c1-6-8-11(7-2)17-20-21-18(26-17)19-16(22)15-13(24-4)9-12(23-3)10-14(15)25-5/h9-11H,6-8H2,1-5H3,(H,19,21,22)
InChIKeyHVXRYNBEJJCFLA-UHFFFAOYSA-N
XLogP4.11
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
2-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
CID 25488827
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 166205739
4,5-dimethoxy-2-nitro-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 2218602
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19197187
N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 7329996
N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 3110211

Frequently Asked Questions

What is the IUPAC name of N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide?
The IUPAC name of N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide (CID 70528120) is N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide.
What is the SMILES notation for N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide?
The canonical SMILES for N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide is CCCC(CC)c1nnc(NC(=O)c2c(OC)cc(OC)cc2OC)s1.
What is the InChIKey of N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide?
The InChIKey is HVXRYNBEJJCFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-6-8-11(7-2)17-20-21-18(26-17)19-16(22)15-13(24-4)9-12(23-3)10-14(15)25-5/h9-11H,6-8H2,1-5H3,(H,19,21,22).
What are the key properties of N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide?
N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide has a molecular weight of 379.48 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide is sourced from PubChem (CID 70528120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).