2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C16H21N3O2S — CID 17320230

IUPAC2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC(C)(C)c1nnc(NC(=O)Cc2ccccc2OC)s1
InChIInChI=1S/C16H21N3O2S/c1-5-16(2,3)14-18-19-15(22-14)17-13(20)10-11-8-6-7-9-12(11)21-4/h6-9H,5,10H2,1-4H3,(H,17,19,20)
InChIKeyZQNFUQVTTJIEQI-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 17320230) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID17320230
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC(C)(C)c1nnc(NC(=O)Cc2ccccc2OC)s1
InChIInChI=1S/C16H21N3O2S/c1-5-16(2,3)14-18-19-15(22-14)17-13(20)10-11-8-6-7-9-12(11)21-4/h6-9H,5,10H2,1-4H3,(H,17,19,20)
InChIKeyZQNFUQVTTJIEQI-UHFFFAOYSA-N
XLogP3.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 847029
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 52899109
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320801
2-(2-methoxyphenyl)-N-[5-[(1S,3R)-3-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163300
2,6-dimethoxy-N-[5-(2-methylheptan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234327
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-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734
2-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17320259
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 17320230) is 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is CCC(C)(C)c1nnc(NC(=O)Cc2ccccc2OC)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ZQNFUQVTTJIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-5-16(2,3)14-18-19-15(22-14)17-13(20)10-11-8-6-7-9-12(11)21-4/h6-9H,5,10H2,1-4H3,(H,17,19,20).
What are the key properties of 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 17320230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).