2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol

C16H16N2O2S — CID 797959

IUPAC2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
SMILESCCOc1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-20-12-9-7-11(8-10-12)15-17-18-16(21-15)13-5-3-4-6-14(13)19/h3-10,15,17,19H,2H2,1H3/t15-/m1/s1
InChIKeyFUKCQKKNINYVNK-OAHLLOKOSA-N
MW300.38 g/mol
LogP3.49
Rot. Bonds4

About 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol

2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol (PubChem CID 797959) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
PubChem CID797959
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
SMILESCCOc1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-20-12-9-7-11(8-10-12)15-17-18-16(21-15)13-5-3-4-6-14(13)19/h3-10,15,17,19H,2H2,1H3/t15-/m1/s1
InChIKeyFUKCQKKNINYVNK-OAHLLOKOSA-N
XLogP3.49
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 2860396
2-[2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
CID 4583365
2-[(2R)-2-naphthalen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
CID 135562299
2-[4-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]acetamide
CID 40569642
2-[(7S)-3-(4-ethoxyphenyl)-7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol
CID 135763091
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
2-(4-ethoxyphenyl)indene-1,3-dione
CID 622331
1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
CID 65042203
2-[2-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 20970185
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4170313
(4R)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136784006

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
The IUPAC name of 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol (CID 797959) is 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol.
What is the SMILES notation for 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
The canonical SMILES for 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol is CCOc1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1.
What is the InChIKey of 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
The InChIKey is FUKCQKKNINYVNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-20-12-9-7-11(8-10-12)15-17-18-16(21-15)13-5-3-4-6-14(13)19/h3-10,15,17,19H,2H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol?
2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol has a molecular weight of 300.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol is sourced from PubChem (CID 797959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).