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

C15H12ClN3O2S2 — CID 22509515

IUPAC2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H12ClN3O2S2/c1-9-2-7-12(22-9)14-18-15(23-19-14)17-13(20)8-21-11-5-3-10(16)4-6-11/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyHKJDXJPQBMOMNT-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.25
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 22509515) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID22509515
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H12ClN3O2S2/c1-9-2-7-12(22-9)14-18-15(23-19-14)17-13(20)8-21-11-5-3-10(16)4-6-11/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyHKJDXJPQBMOMNT-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tetrakis(2-(4-tert-butylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide);1,4-dioxane
CID 175653203
2-(2-methylphenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 39834848
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 17484768
benzene;hexakis(2-(4-chloro-2-methylphenoxy)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)acetamide)
CID 175653214
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 35573056
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17014491
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
2-[[2-(4-chlorophenoxy)acetyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
CID 7520955

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide (CID 22509515) is 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is Cc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3)n2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is HKJDXJPQBMOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c1-9-2-7-12(22-9)14-18-15(23-19-14)17-13(20)8-21-11-5-3-10(16)4-6-11/h2-7H,8H2,1H3,(H,17,18,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 365.87 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 22509515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).