5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole

C13H12N2S2 — CID 3741849

IUPAC5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3cccs3)S2)cc1
InChIInChI=1S/C13H12N2S2/c1-9-4-6-10(7-5-9)12-14-15-13(17-12)11-3-2-8-16-11/h2-8,13,15H,1H3
InChIKeyLQUNXKXNCZZVFV-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.75
Rot. Bonds2

About 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole

5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 3741849) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID3741849
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3cccs3)S2)cc1
InChIInChI=1S/C13H12N2S2/c1-9-4-6-10(7-5-9)12-14-15-13(17-12)11-3-2-8-16-11/h2-8,13,15H,1H3
InChIKeyLQUNXKXNCZZVFV-UHFFFAOYSA-N
XLogP3.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole (CID 3741849) is 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole is Cc1ccc(C2=NNC(c3cccs3)S2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is LQUNXKXNCZZVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-9-4-6-10(7-5-9)12-14-15-13(17-12)11-3-2-8-16-11/h2-8,13,15H,1H3.
What are the key properties of 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole?
5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 260.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 3741849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).