N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide

C17H21N3O2S — CID 929487

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C17H21N3O2S/c1-12-7-5-6-10-14(12)22-11-15(21)18-17-20-19-16(23-17)13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,18,20,21)
InChIKeyCNJXIHRMHTWOKJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.91
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 929487) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
PubChem CID929487
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C17H21N3O2S/c1-12-7-5-6-10-14(12)22-11-15(21)18-17-20-19-16(23-17)13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,18,20,21)
InChIKeyCNJXIHRMHTWOKJ-UHFFFAOYSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide (CID 929487) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is CNJXIHRMHTWOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-7-5-6-10-14(12)22-11-15(21)18-17-20-19-16(23-17)13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,18,20,21).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 929487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).