(2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole

C16H16N2S — CID 40617846

IUPAC(2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole
SMILESC[C@@]1(c2ccccc2)NN=C(Cc2ccccc2)S1
InChIInChI=1S/C16H16N2S/c1-16(14-10-6-3-7-11-14)18-17-15(19-16)12-13-8-4-2-5-9-13/h2-11,18H,12H2,1H3/t16-/m1/s1
InChIKeyIGGQEEOWYNHETB-MRXNPFEDSA-N
MW268.39 g/mol
LogP3.75
Rot. Bonds3

About (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole

(2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole (PubChem CID 40617846) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole.

Molecular Properties

Compound Name(2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole
PubChem CID40617846
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name(2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole
SMILESC[C@@]1(c2ccccc2)NN=C(Cc2ccccc2)S1
InChIInChI=1S/C16H16N2S/c1-16(14-10-6-3-7-11-14)18-17-15(19-16)12-13-8-4-2-5-9-13/h2-11,18H,12H2,1H3/t16-/m1/s1
InChIKeyIGGQEEOWYNHETB-MRXNPFEDSA-N
XLogP3.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4692618
Mrnsnacrabgadq-uhfffaoysa-
CID 4585660
3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene
CID 2715933
2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole
CID 11646043
(r,s)-5-Phenyl-2-p-tolyl-2,3-dihydro-[1,3,4]thiadiazole
CID 12885169
5-(2,5-Difluorophenyl)-2-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 68503997
3-(5-(2,5-Difluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propanenitrile
CID 68552984
5-(4-methylphenyl)-2-phenyl-2-(trifluoromethyl)-3H-1,3,4-thiadiazole
CID 69725767
3-[5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 70896047
2-(3-Azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 86604831
3-[(2R)-5-(2,5-difluorophenyl)-2-phenyl-3H-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 141143910

Frequently Asked Questions

What is the IUPAC name of (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
The IUPAC name of (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole (CID 40617846) is (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole.
What is the SMILES notation for (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
The canonical SMILES for (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole is C[C@@]1(c2ccccc2)NN=C(Cc2ccccc2)S1.
What is the InChIKey of (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
The InChIKey is IGGQEEOWYNHETB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2S/c1-16(14-10-6-3-7-11-14)18-17-15(19-16)12-13-8-4-2-5-9-13/h2-11,18H,12H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole?
(2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole has a molecular weight of 268.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-benzyl-2-methyl-2-phenyl-3H-1,3,4-thiadiazole is sourced from PubChem (CID 40617846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).