(4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone

C12H10FNOS — CID 83393849

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone
SMILESCc1nc(C(=O)c2ccc(F)cc2)sc1C
InChIInChI=1S/C12H10FNOS/c1-7-8(2)16-12(14-7)11(15)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeyFESHTAODRSJGPC-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.13
Rot. Bonds2

About (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone

(4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone (PubChem CID 83393849) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone
PubChem CID83393849
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone
SMILESCc1nc(C(=O)c2ccc(F)cc2)sc1C
InChIInChI=1S/C12H10FNOS/c1-7-8(2)16-12(14-7)11(15)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeyFESHTAODRSJGPC-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone (CID 83393849) is (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone is Cc1nc(C(=O)c2ccc(F)cc2)sc1C.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is FESHTAODRSJGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-7-8(2)16-12(14-7)11(15)9-3-5-10(13)6-4-9/h3-6H,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone?
(4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 83393849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).