2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

C19H27N3O3S — CID 13234327

IUPAC2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCCCCC(C)(C)c1nnc(NC(=O)c2c(OC)cccc2OC)s1
InChIInChI=1S/C19H27N3O3S/c1-6-7-8-12-19(2,3)17-21-22-18(26-17)20-16(23)15-13(24-4)10-9-11-14(15)25-5/h9-11H,6-8,12H2,1-5H3,(H,20,22,23)
InChIKeyKGYSFTCPACHZFA-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.67
Rot. Bonds9

About 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 13234327) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID13234327
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCCCCC(C)(C)c1nnc(NC(=O)c2c(OC)cccc2OC)s1
InChIInChI=1S/C19H27N3O3S/c1-6-7-8-12-19(2,3)17-21-22-18(26-17)20-16(23)15-13(24-4)10-9-11-14(15)25-5/h9-11H,6-8,12H2,1-5H3,(H,20,22,23)
InChIKeyKGYSFTCPACHZFA-UHFFFAOYSA-N
XLogP4.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxy-N-[5-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234326
2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13239351
[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate
CID 19911975
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320230
N-[5-(3-ethyloctan-3-yl)-1,2-oxazol-3-yl]-2,6-dimethoxybenzamide
CID 19912004
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13229314
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 13234330
N-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 12881517

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 13234327) is 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is CCCCCC(C)(C)c1nnc(NC(=O)c2c(OC)cccc2OC)s1.
What is the InChIKey of 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is KGYSFTCPACHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-6-7-8-12-19(2,3)17-21-22-18(26-17)20-16(23)15-13(24-4)10-9-11-14(15)25-5/h9-11H,6-8,12H2,1-5H3,(H,20,22,23).
What are the key properties of 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 377.51 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 13234327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).