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

C17H16N4O2S — CID 655154

IUPACN-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H16N4O2S/c1-2-21(15(22)12-23-14-8-4-3-5-9-14)17-20-19-16(24-17)13-7-6-10-18-11-13/h3-11H,2,12H2,1H3
InChIKeyPSMOTZCKZCQRSH-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.03
Rot. Bonds6

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

N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 655154) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID655154
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H16N4O2S/c1-2-21(15(22)12-23-14-8-4-3-5-9-14)17-20-19-16(24-17)13-7-6-10-18-11-13/h3-11H,2,12H2,1H3
InChIKeyPSMOTZCKZCQRSH-UHFFFAOYSA-N
XLogP3.03
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 655154) is N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PSMOTZCKZCQRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-21(15(22)12-23-14-8-4-3-5-9-14)17-20-19-16(24-17)13-7-6-10-18-11-13/h3-11H,2,12H2,1H3.
What are the key properties of N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 655154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).