5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole

C8H9N3S2 — CID 2746654

IUPAC5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESCSC1=NNC(c2ccccn2)S1
InChIInChI=1S/C8H9N3S2/c1-12-8-11-10-7(13-8)6-4-2-3-5-9-6/h2-5,7,10H,1H3
InChIKeyCOBKEFOWTCEAKB-UHFFFAOYSA-N
MW211.32 g/mol
LogP2.05
Rot. Bonds1

About 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole

5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2746654) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2746654
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC Name5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESCSC1=NNC(c2ccccn2)S1
InChIInChI=1S/C8H9N3S2/c1-12-8-11-10-7(13-8)6-4-2-3-5-9-6/h2-5,7,10H,1H3
InChIKeyCOBKEFOWTCEAKB-UHFFFAOYSA-N
XLogP2.05
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-((E)-1-pyridin-2-ylethylideneamino)carbamodithioate
CID 5947235
5-Benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
CID 2746653
N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2746659
Benzyl hydrogen [1-(pyridin-2-yl)ethylidene]carbonodithiohydrazonate
CID 3004127
5-(Pyridin-2-yl)-1,3,4-thiadiazole-2(3H)-thione
CID 2732684
Methyl 2-(2-pyridinylmethylene)hydrazinecarbodithioate
CID 6789060
4-(Pyridin-2-yl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286791
Hapsbc
CID 5955229
CID 15945764
CID 15945764
2-[(Pyridin-2-ylmethyl)amino]ethanethiol
CID 259626
2-[(Methylsulfanyl)methyl]pyridine
CID 265899
Pyridinium, 2-(2,2-bis(methylthio)ethenyl)-1-methyl-, iodide
CID 3043809

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole (CID 2746654) is 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole is CSC1=NNC(c2ccccn2)S1.
What is the InChIKey of 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is COBKEFOWTCEAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-12-8-11-10-7(13-8)6-4-2-3-5-9-6/h2-5,7,10H,1H3.
What are the key properties of 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 211.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2746654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).