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

C16H21N3O3S2 — CID 13239351

IUPAC2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(C)(SC)c1nnc(NC(=O)c2c(OC)cccc2OC)s1
InChIInChI=1S/C16H21N3O3S2/c1-6-16(2,23-5)14-18-19-15(24-14)17-13(20)12-10(21-3)8-7-9-11(12)22-4/h7-9H,6H2,1-5H3,(H,17,19,20)
InChIKeyQRTZRMLYOVBULT-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.80
Rot. Bonds7

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

2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 13239351) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID13239351
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(C)(SC)c1nnc(NC(=O)c2c(OC)cccc2OC)s1
InChIInChI=1S/C16H21N3O3S2/c1-6-16(2,23-5)14-18-19-15(24-14)17-13(20)12-10(21-3)8-7-9-11(12)22-4/h7-9H,6H2,1-5H3,(H,17,19,20)
InChIKeyQRTZRMLYOVBULT-UHFFFAOYSA-N
XLogP3.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234327
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
[2-[5-[(2,6-dimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]-2-methylpropyl] 2-acetyloxyacetate
CID 19911975
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 13234330
2,6-diethyl-N-[5-(3-methylpentan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13229314
2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320230
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
N-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 12881517
N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 23734432
2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,2-oxazol-3-yl]benzamide
CID 13239379

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 13239351) is 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is CCC(C)(SC)c1nnc(NC(=O)c2c(OC)cccc2OC)s1.
What is the InChIKey of 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is QRTZRMLYOVBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-6-16(2,23-5)14-18-19-15(24-14)17-13(20)12-10(21-3)8-7-9-11(12)22-4/h7-9H,6H2,1-5H3,(H,17,19,20).
What are the key properties of 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 367.50 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 13239351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).