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

C16H14N4O2S — CID 929361

IUPAC2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H14N4O2S/c1-11-4-2-3-5-13(11)22-10-14(21)18-16-20-19-15(23-16)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeySSYDKXHJVBSJMO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.93
Rot. Bonds5

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

2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 929361) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID929361
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H14N4O2S/c1-11-4-2-3-5-13(11)22-10-14(21)18-16-20-19-15(23-16)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeySSYDKXHJVBSJMO-UHFFFAOYSA-N
XLogP2.93
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 860547
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1402105
N-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine
CID 11704091
1-(4-Methoxyphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 705307
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
2-(2-Fluoro-phenoxy)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 921459
1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
N-Ethyl-2-(2-methoxy-phenyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451796
2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2309669

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 929361) is 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccccc1OCC(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SSYDKXHJVBSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-4-2-3-5-13(11)22-10-14(21)18-16-20-19-15(23-16)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,20,21).
What are the key properties of 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 929361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).