2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

C15H14N2S2 — CID 4570467

IUPAC2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCSc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H14N2S2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10,15,17H,1H3
InChIKeyXLMOXUBIZAOHKV-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 4570467) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID4570467
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCSc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H14N2S2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10,15,17H,1H3
InChIKeyXLMOXUBIZAOHKV-UHFFFAOYSA-N
XLogP4.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 3704631
2-(3-Fluorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 4395503
2-[5-(4-Methylphenyl)-1,3,4-thiadiazolin-2-yl]thiophene
CID 3741849
Mrnsnacrabgadq-uhfffaoysa-
CID 4585660
2-(4-Fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871209
(r,s)-5-Phenyl-2-p-tolyl-2,3-dihydro-[1,3,4]thiadiazole
CID 12885169
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3,4-thiadiazole
CID 2871289
5-(3-Fluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 91896834
5-(2,5-Difluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 174715232
5-Phenyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2860522
1,3,4-Thiadiazole, 2,3-dihydro-2-phenyl-5-(phenylmethyl)-
CID 2861099
5-Methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 23271437

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 4570467) is 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is CSc1ccc(C2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is XLMOXUBIZAOHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10,15,17H,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 286.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 4570467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).