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

C16H14N4O2S — CID 651096

IUPACN-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C16H14N4O2S/c1-20(14(21)11-22-13-7-3-2-4-8-13)16-19-18-15(23-16)12-6-5-9-17-10-12/h2-10H,11H2,1H3
InChIKeyMCSPMODHUNLUSM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.64
Rot. Bonds5

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

N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 651096) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID651096
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C16H14N4O2S/c1-20(14(21)11-22-13-7-3-2-4-8-13)16-19-18-15(23-16)12-6-5-9-17-10-12/h2-10H,11H2,1H3
InChIKeyMCSPMODHUNLUSM-UHFFFAOYSA-N
XLogP2.64
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 651096) is N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MCSPMODHUNLUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-20(14(21)11-22-13-7-3-2-4-8-13)16-19-18-15(23-16)12-6-5-9-17-10-12/h2-10H,11H2,1H3.
What are the key properties of N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 651096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).