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

C11H8FNOS — CID 105079830

IUPAC(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C11H8FNOS/c1-7-13-10(6-15-7)11(14)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyHUNFIIHZZKGBOY-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.82
Rot. Bonds2

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

(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 105079830) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID105079830
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C11H8FNOS/c1-7-13-10(6-15-7)11(14)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyHUNFIIHZZKGBOY-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079306
(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone
CID 115529848
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
(4-amino-2-methyl-1,3-thiazol-5-yl)-(3-fluorophenyl)methanone
CID 142153954
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166910014
(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
CID 103373214
(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
CID 105085451
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 105079830) is (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)c2cccc(F)c2)cs1.
What is the InChIKey of (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is HUNFIIHZZKGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c1-7-13-10(6-15-7)11(14)8-3-2-4-9(12)5-8/h2-6H,1H3.
What are the key properties of (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 105079830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).