2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole

C15H14N4S2 — CID 130187715

IUPAC2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole
SMILESCCSc1cccnc1-c1nnc(-c2ccc(C)cn2)s1
InChIInChI=1S/C15H14N4S2/c1-3-20-12-5-4-8-16-13(12)15-19-18-14(21-15)11-7-6-10(2)9-17-11/h4-9H,3H2,1-2H3
InChIKeyDNVSJVZFPUXWOH-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.08
Rot. Bonds4

About 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole

2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole (PubChem CID 130187715) has the molecular formula C15H14N4S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole
PubChem CID130187715
Molecular FormulaC15H14N4S2
Molecular Weight314.44 g/mol
Exact Mass314.07
IUPAC Name2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole
SMILESCCSc1cccnc1-c1nnc(-c2ccc(C)cn2)s1
InChIInChI=1S/C15H14N4S2/c1-3-20-12-5-4-8-16-13(12)15-19-18-14(21-15)11-7-6-10(2)9-17-11/h4-9H,3H2,1-2H3
InChIKeyDNVSJVZFPUXWOH-UHFFFAOYSA-N
XLogP4.08
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole (CID 130187715) is 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole is CCSc1cccnc1-c1nnc(-c2ccc(C)cn2)s1.
What is the InChIKey of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is DNVSJVZFPUXWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S2/c1-3-20-12-5-4-8-16-13(12)15-19-18-14(21-15)11-7-6-10(2)9-17-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole?
2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 314.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130187715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).