2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide

C16H15N3O2S2 — CID 39834848

IUPAC2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)s1
InChIInChI=1S/C16H15N3O2S2/c1-10-5-3-4-6-12(10)21-9-14(20)17-16-18-15(19-23-16)13-8-7-11(2)22-13/h3-8H,9H2,1-2H3,(H,17,18,19,20)
InChIKeyBNYDTMZUVRSUOY-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.90
Rot. Bonds5

About 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide

2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 39834848) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID39834848
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)s1
InChIInChI=1S/C16H15N3O2S2/c1-10-5-3-4-6-12(10)21-9-14(20)17-16-18-15(19-23-16)13-8-7-11(2)22-13/h3-8H,9H2,1-2H3,(H,17,18,19,20)
InChIKeyBNYDTMZUVRSUOY-UHFFFAOYSA-N
XLogP3.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 22509515
tetrakis(2-(4-tert-butylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide);1,4-dioxane
CID 175653203
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
benzene;hexakis(2-(4-chloro-2-methylphenoxy)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)acetamide)
CID 175653214
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 90601789
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 43836662

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (CID 39834848) is 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is Cc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is BNYDTMZUVRSUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-5-3-4-6-12(10)21-9-14(20)17-16-18-15(19-23-16)13-8-7-11(2)22-13/h3-8H,9H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 39834848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).