2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide

C16H14ClN3O2S — CID 91088167

IUPAC2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C1=NNC(c2ccc(Cl)cc2)S1
InChIInChI=1S/C16H14ClN3O2S/c17-11-7-5-10(6-8-11)15-19-20-16(23-15)12-3-1-2-4-13(12)22-9-14(18)21/h1-8,15,19H,9H2,(H2,18,21)
InChIKeyDPTIWVAZHSYGDH-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide

2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide (PubChem CID 91088167) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide
PubChem CID91088167
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C1=NNC(c2ccc(Cl)cc2)S1
InChIInChI=1S/C16H14ClN3O2S/c17-11-7-5-10(6-8-11)15-19-20-16(23-15)12-3-1-2-4-13(12)22-9-14(18)21/h1-8,15,19H,9H2,(H2,18,21)
InChIKeyDPTIWVAZHSYGDH-UHFFFAOYSA-N
XLogP2.90
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide
CID 40569642
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 7948811
2-[2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
CID 4583365
sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate
CID 23664226
2-(2-hydroxyphenoxy)acetamide
CID 786426
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 2860396
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
2-(2-tert-butylphenoxy)acetamide
CID 17051379
2-[2-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126229823

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide (CID 91088167) is 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide is NC(=O)COc1ccccc1C1=NNC(c2ccc(Cl)cc2)S1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide?
The InChIKey is DPTIWVAZHSYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-11-7-5-10(6-8-11)15-19-20-16(23-15)12-3-1-2-4-13(12)22-9-14(18)21/h1-8,15,19H,9H2,(H2,18,21).
What are the key properties of 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide?
2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide has a molecular weight of 347.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 91088167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).