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

C12H14N4O2S — CID 3230914

IUPACN-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCCN(C(C)=O)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4O2S/c1-9(17)16(7-8-18-2)12-15-14-11(19-12)10-3-5-13-6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyJGQXNBFZPCORCN-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.60
Rot. Bonds5

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

N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3230914) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3230914
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCCN(C(C)=O)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4O2S/c1-9(17)16(7-8-18-2)12-15-14-11(19-12)10-3-5-13-6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyJGQXNBFZPCORCN-UHFFFAOYSA-N
XLogP1.60
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3230914) is N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is COCCN(C(C)=O)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JGQXNBFZPCORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9(17)16(7-8-18-2)12-15-14-11(19-12)10-3-5-13-6-4-10/h3-6H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3230914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).