1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone

C11H11N3OS — CID 105108103

IUPAC1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
SMILESCCc1nnsc1C(=O)Cc1ccccn1
InChIInChI=1S/C11H11N3OS/c1-2-9-11(16-14-13-9)10(15)7-8-5-3-4-6-12-8/h3-6H,2,7H2,1H3
InChIKeyUHACORBJSZWUTN-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone

1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone (PubChem CID 105108103) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
PubChem CID105108103
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
SMILESCCc1nnsc1C(=O)Cc1ccccn1
InChIInChI=1S/C11H11N3OS/c1-2-9-11(16-14-13-9)10(15)7-8-5-3-4-6-12-8/h3-6H,2,7H2,1H3
InChIKeyUHACORBJSZWUTN-UHFFFAOYSA-N
XLogP1.92
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiadiazole-5-carboxamide
CID 171355430
2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105081673
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105104785
1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
4-ethylthiadiazole-5-carboxamide
CID 45084470
1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 105110386
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105112446
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 105157988
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone (CID 105108103) is 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone is CCc1nnsc1C(=O)Cc1ccccn1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone?
The InChIKey is UHACORBJSZWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-9-11(16-14-13-9)10(15)7-8-5-3-4-6-12-8/h3-6H,2,7H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone?
1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone has a molecular weight of 233.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 105108103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).