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

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Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
2,5-Bis(4-pyridyl)-1,3,4-thiadiazole
CID 84870
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'''']bipyridinyl
CID 44392969
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102
2,4-Di(pyridin-3-yl)thiazole
CID 2725997
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
Mls000737262
CID 267294
2,5-Bis(2-pyridylmethylthio)-1,3,4-thiadiazole
CID 660876
(E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
CID 11715388

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).