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

C16H20ClN3O2S — CID 16551051

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H20ClN3O2S/c1-3-4-5-6-15-19-20-16(23-15)18-14(21)10-22-12-7-8-13(17)11(2)9-12/h7-9H,3-6,10H2,1-2H3,(H,18,20,21)
InChIKeyMQRLRZGOGVKVEE-UHFFFAOYSA-N
MW353.88 g/mol
LogP4.25
Rot. Bonds8

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

2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 16551051) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID16551051
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H20ClN3O2S/c1-3-4-5-6-15-19-20-16(23-15)18-14(21)10-22-12-7-8-13(17)11(2)9-12/h7-9H,3-6,10H2,1-2H3,(H,18,20,21)
InChIKeyMQRLRZGOGVKVEE-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7751334
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
2-(4-chloro-3-methylphenoxy)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3327775
2-(4-chloro-3-methylphenoxy)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3324213
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 16551051) is 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MQRLRZGOGVKVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-3-4-5-6-15-19-20-16(23-15)18-14(21)10-22-12-7-8-13(17)11(2)9-12/h7-9H,3-6,10H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 353.88 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 16551051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).