2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H13Cl2N3O3S — CID 3158232

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl2N3O3S/c1-2-20-7-12-17-18-13(22-12)16-11(19)6-21-10-4-3-8(14)5-9(10)15/h3-5H,2,6-7H2,1H3,(H,16,18,19)
InChIKeyFLLBNZOOOPHSAT-UHFFFAOYSA-N
MW362.24 g/mol
LogP3.40
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3158232) has the molecular formula C13H13Cl2N3O3S and a molecular weight of 362.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3158232
Molecular FormulaC13H13Cl2N3O3S
Molecular Weight362.24 g/mol
Exact Mass361.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl2N3O3S/c1-2-20-7-12-17-18-13(22-12)16-11(19)6-21-10-4-3-8(14)5-9(10)15/h3-5H,2,6-7H2,1H3,(H,16,18,19)
InChIKeyFLLBNZOOOPHSAT-UHFFFAOYSA-N
XLogP3.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202970
2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772
2-(2,4-dichlorophenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821663
2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114260
2-(2,4-dichlorophenoxy)-N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 23908479
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
(2S)-2-(2,4-dichlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1080658
2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78767939
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3619772
2-(2,4-dichlorophenoxy)-N-[5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17203833
4-(2,4-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3382170
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 3158232) is 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCOCc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FLLBNZOOOPHSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3S/c1-2-20-7-12-17-18-13(22-12)16-11(19)6-21-10-4-3-8(14)5-9(10)15/h3-5H,2,6-7H2,1H3,(H,16,18,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 362.24 g/mol, XLogP of 3.40, 7 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-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3158232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).