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

C14H17N3O3S — CID 5202520

IUPAC2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccccc2OC)s1
InChIInChI=1S/C14H17N3O3S/c1-3-6-13-16-17-14(21-13)15-12(18)9-20-11-8-5-4-7-10(11)19-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,17,18)
InChIKeyTUMNRTIWQYLGQP-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.52
Rot. Bonds7

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

2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 5202520) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID5202520
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccccc2OC)s1
InChIInChI=1S/C14H17N3O3S/c1-3-6-13-16-17-14(21-13)15-12(18)9-20-11-8-5-4-7-10(11)19-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,17,18)
InChIKeyTUMNRTIWQYLGQP-UHFFFAOYSA-N
XLogP2.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3477268
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7751334
2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772
2-(4-bromo-2-ethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202963
2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202970
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 5202520) is 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)COc2ccccc2OC)s1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is TUMNRTIWQYLGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-6-13-16-17-14(21-13)15-12(18)9-20-11-8-5-4-7-10(11)19-2/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 5202520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).