2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide

C9H6Cl2N4O2S — CID 19114260

IUPAC2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnns1
InChIInChI=1S/C9H6Cl2N4O2S/c10-5-1-2-7(6(11)3-5)17-4-8(16)12-9-13-14-15-18-9/h1-3H,4H2,(H,12,13,15,16)
InChIKeyYOFDOIZYTHUOKS-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.26
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide (PubChem CID 19114260) has the molecular formula C9H6Cl2N4O2S and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
PubChem CID19114260
Molecular FormulaC9H6Cl2N4O2S
Molecular Weight305.15 g/mol
Exact Mass303.96
IUPAC Name2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnns1
InChIInChI=1S/C9H6Cl2N4O2S/c10-5-1-2-7(6(11)3-5)17-4-8(16)12-9-13-14-15-18-9/h1-3H,4H2,(H,12,13,15,16)
InChIKeyYOFDOIZYTHUOKS-UHFFFAOYSA-N
XLogP2.26
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114305
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3158232
2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3619772
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
2-(2,4-dichlorophenoxy)-N-(2-ethyltetrazol-5-yl)acetamide;hydrochloride
CID 126468098
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide (CID 19114260) is 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nnns1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is YOFDOIZYTHUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O2S/c10-5-1-2-7(6(11)3-5)17-4-8(16)12-9-13-14-15-18-9/h1-3H,4H2,(H,12,13,15,16).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 305.15 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 19114260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).