(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone

C10H9FN2OS — CID 130594368

IUPAC(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1sccc1F
InChIInChI=1S/C10H9FN2OS/c1-2-13-5-4-12-10(13)8(14)9-7(11)3-6-15-9/h3-6H,2H2,1H3
InChIKeyPYIOSTCXTTWQNC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.33
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone

(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone (PubChem CID 130594368) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone
PubChem CID130594368
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1sccc1F
InChIInChI=1S/C10H9FN2OS/c1-2-13-5-4-12-10(13)8(14)9-7(11)3-6-15-9/h3-6H,2H2,1H3
InChIKeyPYIOSTCXTTWQNC-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81477833
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
(1-ethylimidazol-2-yl)-(1H-imidazol-2-yl)methanone
CID 18960771
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116577477
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone
CID 105101257
(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
CID 106689394

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone (CID 130594368) is (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone is CCn1ccnc1C(=O)c1sccc1F.
What is the InChIKey of (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone?
The InChIKey is PYIOSTCXTTWQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-2-13-5-4-12-10(13)8(14)9-7(11)3-6-15-9/h3-6H,2H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone?
(1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(3-fluorothiophen-2-yl)methanone is sourced from PubChem (CID 130594368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).