[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone

C17H12FNOS — CID 164668730

IUPAC[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2scnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12FNOS/c1-11-2-4-13(5-3-11)16(20)17-15(19-10-21-17)12-6-8-14(18)9-7-12/h2-10H,1H3
InChIKeyATQLJJBSWHPREY-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.49
Rot. Bonds3

About [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone

[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone (PubChem CID 164668730) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone
PubChem CID164668730
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2scnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12FNOS/c1-11-2-4-13(5-3-11)16(20)17-15(19-10-21-17)12-6-8-14(18)9-7-12/h2-10H,1H3
InChIKeyATQLJJBSWHPREY-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl(2-phenyl-1,3-thiazol-5-yl)methanone
CID 3780158
4-Phenylthiazole-5-carboxamide
CID 16658827
(2-Chlorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
CID 145991674
[4-(3-Chlorophenyl)-1,3-thiazol-5-yl]-(3,4-dichlorophenyl)methanone
CID 145991755
1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 8964238
4-(3-Phenylphenyl)thiazole-5-carboxamide
CID 16658122
4-(3-Benzoylphenyl)thiazole-5-carboxamide
CID 16658826
2-[(4-Fluorophenyl)sulfanyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone
CID 1477679
(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one
CID 5707211
(2-Chlorophenyl)-[4-(3-chlorophenyl)-1,3-thiazol-5-yl]methanone
CID 145994203
1-[2-(4-Butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 56683436
(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)prop-2-en-1-one
CID 127043101

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone (CID 164668730) is [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2scnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone?
The InChIKey is ATQLJJBSWHPREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS/c1-11-2-4-13(5-3-11)16(20)17-15(19-10-21-17)12-6-8-14(18)9-7-12/h2-10H,1H3.
What are the key properties of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone?
[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone has a molecular weight of 297.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 164668730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).