5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole

C15H16N3S+ — CID 4056541

IUPAC5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3cccc(C)[nH+]3)S2)cc1
InChIInChI=1S/C15H15N3S/c1-10-6-8-12(9-7-10)14-17-18-15(19-14)13-5-3-4-11(2)16-13/h3-9,15,18H,1-2H3/p+1
InChIKeyQUZIVRLMINYBNO-UHFFFAOYSA-O
MW270.38 g/mol
LogP2.81
Rot. Bonds2

About 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole

5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 4056541) has the molecular formula C15H16N3S+ and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole
PubChem CID4056541
Molecular FormulaC15H16N3S+
Molecular Weight270.38 g/mol
Exact Mass270.11
IUPAC Name5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3cccc(C)[nH+]3)S2)cc1
InChIInChI=1S/C15H15N3S/c1-10-6-8-12(9-7-10)14-17-18-15(19-14)13-5-3-4-11(2)16-13/h3-9,15,18H,1-2H3/p+1
InChIKeyQUZIVRLMINYBNO-UHFFFAOYSA-O
XLogP2.81
TPSA38.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole (CID 4056541) is 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole is Cc1ccc(C2=NNC(c3cccc(C)[nH+]3)S2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is QUZIVRLMINYBNO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3S/c1-10-6-8-12(9-7-10)14-17-18-15(19-14)13-5-3-4-11(2)16-13/h3-9,15,18H,1-2H3/p+1.
What are the key properties of 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole?
5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 270.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 4056541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).