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

C16H19N3O2S — CID 921788

IUPACN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-6-2-5-9-13(11)21-10-14(20)17-16-19-18-15(22-16)12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,17,19,20)
InChIKeyCRMBMFIHQSMSEA-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.52
Rot. Bonds5

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

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 921788) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
PubChem CID921788
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C16H19N3O2S/c1-11-6-2-5-9-13(11)21-10-14(20)17-16-19-18-15(22-16)12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,17,19,20)
InChIKeyCRMBMFIHQSMSEA-UHFFFAOYSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide (CID 921788) is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1nnc(C2CCCC2)s1.
What is the InChIKey of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is CRMBMFIHQSMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-6-2-5-9-13(11)21-10-14(20)17-16-19-18-15(22-16)12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,17,19,20).
What are the key properties of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide?
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 921788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).