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

C16H19N3O3S — CID 929485

IUPACN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C16H19N3O3S/c1-21-12-8-4-5-9-13(12)22-10-14(20)17-16-19-18-15(23-16)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,17,19,20)
InChIKeyMZIWXRLLTCXIMD-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.22
Rot. Bonds6

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

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 929485) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
PubChem CID929485
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C16H19N3O3S/c1-21-12-8-4-5-9-13(12)22-10-14(20)17-16-19-18-15(23-16)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,17,19,20)
InChIKeyMZIWXRLLTCXIMD-UHFFFAOYSA-N
XLogP3.22
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4385887
2-(1,3-benzodioxol-5-yloxy)-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493289
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-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-acetamide
CID 651157
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
Ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665231
2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 777645

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide (CID 929485) is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1nnc(C2CCCC2)s1.
What is the InChIKey of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is MZIWXRLLTCXIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-12-8-4-5-9-13(12)22-10-14(20)17-16-19-18-15(23-16)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,17,19,20).
What are the key properties of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide?
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 929485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).