N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

C14H17N3O2S — CID 7920328

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCCCCc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C14H17N3O2S/c1-2-3-9-13-16-17-14(20-13)15-12(18)10-19-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17,18)
InChIKeyVVUVGWADNHQHII-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.90
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (PubChem CID 7920328) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
PubChem CID7920328
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCCCCc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C14H17N3O2S/c1-2-3-9-13-16-17-14(20-13)15-12(18)10-19-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17,18)
InChIKeyVVUVGWADNHQHII-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892
2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7751334
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
2-(2-bromo-4-phenylphenoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178695
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16551051
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (CID 7920328) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is CCCCc1nnc(NC(=O)COc2ccccc2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is VVUVGWADNHQHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-3-9-13-16-17-14(20-13)15-12(18)10-19-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17,18).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 291.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 7920328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).