(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone

C11H8ClFN2OS — CID 105396788

IUPAC(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H8ClFN2OS/c1-2-9-11(17-15-14-9)10(16)7-5-6(13)3-4-8(7)12/h3-5H,2H2,1H3
InChIKeyWCXIHTQQCNGAMK-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.12
Rot. Bonds3

About (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone

(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 105396788) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID105396788
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H8ClFN2OS/c1-2-9-11(17-15-14-9)10(16)7-5-6(13)3-4-8(7)12/h3-5H,2H2,1H3
InChIKeyWCXIHTQQCNGAMK-UHFFFAOYSA-N
XLogP3.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methanone
CID 105095763
(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105081421
(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 105097609
4-ethylthiadiazole-5-carbonyl chloride
CID 18524959
(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
CID 105396790
N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide
CID 79953365
4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206218
N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
CID 103614219
(2-methylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105080193
(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 105122356
(3,4-diethoxyphenyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105096318
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone (CID 105396788) is (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is WCXIHTQQCNGAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c1-2-9-11(17-15-14-9)10(16)7-5-6(13)3-4-8(7)12/h3-5H,2H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone?
(2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 270.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105396788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).