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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Related Compounds

N-(5-Pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929361
Furan-2-carboxylic acid ethyl-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 24792448
1-Allyl-3-(4-methoxy-phenyl)-1-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-urea
CID 1076247
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1402105
2-(4-Methylphenoxy)-N-(pyridin-2-YL)-N-[(thiophen-2-YL)methyl]acetamide
CID 17013221
3-Methoxy-N-(2-methoxy-ethyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650936
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
2-(2-Fluoro-phenoxy)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 921459
1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
N-Ethyl-2-(2-methoxy-phenyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451796
2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2309669

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).