(2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone

C12H10FNOS — CID 90888549

IUPAC(2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone
SMILESCCc1nc(C(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H10FNOS/c1-2-11-14-10(7-16-11)12(15)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZMIHIMLFZJCAAY-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.08
Rot. Bonds3

About (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone

(2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone (PubChem CID 90888549) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone
PubChem CID90888549
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone
SMILESCCc1nc(C(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H10FNOS/c1-2-11-14-10(7-16-11)12(15)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZMIHIMLFZJCAAY-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone (CID 90888549) is (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone is CCc1nc(C(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is ZMIHIMLFZJCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-2-11-14-10(7-16-11)12(15)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone?
(2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 90888549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).