5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole

C14H12ClN3S2 — CID 2746650

IUPAC5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESClc1ccc(CSC2=NNC(c3ccccn3)S2)cc1
InChIInChI=1S/C14H12ClN3S2/c15-11-6-4-10(5-7-11)9-19-14-18-17-13(20-14)12-3-1-2-8-16-12/h1-8,13,17H,9H2
InChIKeyWYHSUJVXWKALFN-UHFFFAOYSA-N
MW321.86 g/mol
LogP4.27
Rot. Bonds3

About 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole

5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2746650) has the molecular formula C14H12ClN3S2 and a molecular weight of 321.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2746650
Molecular FormulaC14H12ClN3S2
Molecular Weight321.86 g/mol
Exact Mass321.02
IUPAC Name5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESClc1ccc(CSC2=NNC(c3ccccn3)S2)cc1
InChIInChI=1S/C14H12ClN3S2/c15-11-6-4-10(5-7-11)9-19-14-18-17-13(20-14)12-3-1-2-8-16-12/h1-8,13,17H,9H2
InChIKeyWYHSUJVXWKALFN-UHFFFAOYSA-N
XLogP4.27
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
CID 2746653
4-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyridine
CID 2731956
N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamide
CID 2746662
Benzyl hydrogen [1-(pyridin-2-yl)ethylidene]carbonodithiohydrazonate
CID 3004127
2-[(4-chlorobenzyl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 801371
[(E)-[(4-chlorophenyl)-pyridin-2-ylmethylidene]amino]thiourea
CID 54757136
4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
CID 9557838
Hapsbc
CID 5955229
3-((4-Chlorobenzyl)thio)-6-(pyridin-2-yl)pyridazine
CID 7207489
(Z)-4-(4-chlorophenyl)-3-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-imine
CID 137634074
Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate
CID 215007
(4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
CID 215010

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole (CID 2746650) is 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole is Clc1ccc(CSC2=NNC(c3ccccn3)S2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is WYHSUJVXWKALFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S2/c15-11-6-4-10(5-7-11)9-19-14-18-17-13(20-14)12-3-1-2-8-16-12/h1-8,13,17H,9H2.
What are the key properties of 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 321.86 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2746650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).