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

C17H21N3O2S — CID 921376

IUPACN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnc(C3CCCC3)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-12-7-9-14(10-8-12)22-11-15(21)18-17-20-19-16(23-17)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,20,21)
InChIKeyQFJAFFNPXFLDPS-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.78
Rot. Bonds6

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

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide (PubChem CID 921376) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
PubChem CID921376
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnc(C3CCCC3)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-12-7-9-14(10-8-12)22-11-15(21)18-17-20-19-16(23-17)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,20,21)
InChIKeyQFJAFFNPXFLDPS-UHFFFAOYSA-N
XLogP3.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 5904691
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide (CID 921376) is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2nnc(C3CCCC3)s2)cc1.
What is the InChIKey of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is QFJAFFNPXFLDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-12-7-9-14(10-8-12)22-11-15(21)18-17-20-19-16(23-17)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,20,21).
What are the key properties of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.78, 6 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-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 921376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).