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

C18H18N4O3S — CID 644535

IUPACN-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4O3S/c1-24-11-10-22(16(23)13-25-15-7-3-2-4-8-15)18-21-20-17(26-18)14-6-5-9-19-12-14/h2-9,12H,10-11,13H2,1H3
InChIKeyYKGIEHUMLGLFHI-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.66
Rot. Bonds8

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

N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 644535) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID644535
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOCCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H18N4O3S/c1-24-11-10-22(16(23)13-25-15-7-3-2-4-8-15)18-21-20-17(26-18)14-6-5-9-19-12-14/h2-9,12H,10-11,13H2,1H3
InChIKeyYKGIEHUMLGLFHI-UHFFFAOYSA-N
XLogP2.66
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 644535) is N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is COCCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YKGIEHUMLGLFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-11-10-22(16(23)13-25-15-7-3-2-4-8-15)18-21-20-17(26-18)14-6-5-9-19-12-14/h2-9,12H,10-11,13H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 644535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).