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

C16H15N3O2S — CID 40569642

IUPAC2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C16H15N3O2S/c17-14(20)10-21-13-8-6-12(7-9-13)16-19-18-15(22-16)11-4-2-1-3-5-11/h1-9,16,19H,10H2,(H2,17,20)/t16-/m1/s1
InChIKeyRQFRUEQUQANEHJ-MRXNPFEDSA-N
MW313.38 g/mol
LogP2.25
Rot. Bonds5

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

2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide (PubChem CID 40569642) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide
PubChem CID40569642
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C16H15N3O2S/c17-14(20)10-21-13-8-6-12(7-9-13)16-19-18-15(22-16)11-4-2-1-3-5-11/h1-9,16,19H,10H2,(H2,17,20)/t16-/m1/s1
InChIKeyRQFRUEQUQANEHJ-MRXNPFEDSA-N
XLogP2.25
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 2860396
2-[2-[2-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenoxy]acetamide
CID 91088167
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
potassium;hydride;2-phenoxyacetamide
CID 175513799
2-[4-[(4R)-5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetamide
CID 1302579
methyl thiohypochlorite;2-phenoxyacetamide
CID 143004120
ethyl (4R)-6-amino-4-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-phenyl-4H-pyran-3-carboxylate
CID 40613875
2-[4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]acetamide
CID 73335786
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760
CID 88969762
CID 88969762
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
2-(4-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871209

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide (CID 40569642) is 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide is NC(=O)COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide?
The InChIKey is RQFRUEQUQANEHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-14(20)10-21-13-8-6-12(7-9-13)16-19-18-15(22-16)11-4-2-1-3-5-11/h1-9,16,19H,10H2,(H2,17,20)/t16-/m1/s1.
What are the key properties of 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide?
2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 40569642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).