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

C17H13Cl2N3O2S — CID 1185936

IUPAC2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1nnc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H13Cl2N3O2S/c18-12-6-4-11(5-7-12)8-16-21-22-17(25-16)20-15(23)10-24-14-3-1-2-13(19)9-14/h1-7,9H,8,10H2,(H,20,22,23)
InChIKeyAUUMTFLIJADQEL-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.45
Rot. Bonds6

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

2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1185936) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1185936
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1nnc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H13Cl2N3O2S/c18-12-6-4-11(5-7-12)8-16-21-22-17(25-16)20-15(23)10-24-14-3-1-2-13(19)9-14/h1-7,9H,8,10H2,(H,20,22,23)
InChIKeyAUUMTFLIJADQEL-UHFFFAOYSA-N
XLogP4.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188917
2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
2-(3-chlorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2241620
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78767939
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 82176492
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1420599
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 1185936) is 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(COc1cccc(Cl)c1)Nc1nnc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is AUUMTFLIJADQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c18-12-6-4-11(5-7-12)8-16-21-22-17(25-16)20-15(23)10-24-14-3-1-2-13(19)9-14/h1-7,9H,8,10H2,(H,20,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 394.28 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1185936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).