2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole

C9H9N3S — CID 101460116

IUPAC2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCc1nnc(-c2ccccn2)s1
InChIInChI=1S/C9H9N3S/c1-2-8-11-12-9(13-8)7-5-3-4-6-10-7/h3-6H,2H2,1H3
InChIKeyIEIJBCOGXRTATJ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.16
Rot. Bonds2

About 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole

2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 101460116) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID101460116
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCc1nnc(-c2ccccn2)s1
InChIInChI=1S/C9H9N3S/c1-2-8-11-12-9(13-8)7-5-3-4-6-10-7/h3-6H,2H2,1H3
InChIKeyIEIJBCOGXRTATJ-UHFFFAOYSA-N
XLogP2.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Bis(4-pyridyl)-1,3,4-thiadiazole
CID 84870
Pyridine, 3-(5-amino-1,3,4-thiadiazol-2-yl)-
CID 199035
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
Mls000737262
CID 267294
2,5-Bis(2-pyridylmethylthio)-1,3,4-thiadiazole
CID 660876
2-(1H-pyrrol-1-ylmethyl)pyridine
CID 736206
Methyl-pyridin-4-yl-(2-vinyl-pyrrol-1-yl)-amine
CID 10375506
4-Pyridin-2-ylselenadiazole
CID 12054216
1-(5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl)octadec-9-en-1-one
CID 24950838
5-(Pyridin-2-yl)-1,3,4-thiadiazole-2(3H)-thione
CID 2732684
2-(1-methyl-1H-pyrrol-2-yl)pyridine
CID 3013899
2-[(1E)-2-(2-Thienyl)ethenyl]pyridine
CID 5293596

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole (CID 101460116) is 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole is CCc1nnc(-c2ccccn2)s1.
What is the InChIKey of 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is IEIJBCOGXRTATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-2-8-11-12-9(13-8)7-5-3-4-6-10-7/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole?
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 191.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 101460116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).