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

C18H18N4O2S — CID 1451796

IUPACN-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H18N4O2S/c1-3-22(16(23)12-14-6-4-5-7-15(14)24-2)18-21-20-17(25-18)13-8-10-19-11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyQFXPNIZPSKLIEH-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.20
Rot. Bonds6

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

N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1451796) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1451796
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H18N4O2S/c1-3-22(16(23)12-14-6-4-5-7-15(14)24-2)18-21-20-17(25-18)13-8-10-19-11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyQFXPNIZPSKLIEH-UHFFFAOYSA-N
XLogP3.20
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 1451796) is N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is CCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QFXPNIZPSKLIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-22(16(23)12-14-6-4-5-7-15(14)24-2)18-21-20-17(25-18)13-8-10-19-11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1451796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).