[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate

C15H14FNO2S — CID 174625016

IUPAC[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1nc(C2CC2)sc1-c1ccc(C)c(F)c1
InChIInChI=1S/C15H14FNO2S/c1-8-3-4-11(7-12(8)16)13-14(19-9(2)18)17-15(20-13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyGFBDNNNZONVSOC-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.06
Rot. Bonds3

About [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate

[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate (PubChem CID 174625016) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate
PubChem CID174625016
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1nc(C2CC2)sc1-c1ccc(C)c(F)c1
InChIInChI=1S/C15H14FNO2S/c1-8-3-4-11(7-12(8)16)13-14(19-9(2)18)17-15(20-13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyGFBDNNNZONVSOC-UHFFFAOYSA-N
XLogP4.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazol-4-yl] acetate
CID 174624911
2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
CID 70261424
2-cyclopentyl-4-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-amine
CID 63645196
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
5-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78973945
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole
CID 143451926
3-chloro-N-[[(2S,5R)-3-[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzamide
CID 68634107
2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 66867765
methyl 5-amino-2-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199671
2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502731
[5-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl] acetate
CID 174634013

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate?
The IUPAC name of [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate (CID 174625016) is [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate is CC(=O)Oc1nc(C2CC2)sc1-c1ccc(C)c(F)c1.
What is the InChIKey of [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate?
The InChIKey is GFBDNNNZONVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-8-3-4-11(7-12(8)16)13-14(19-9(2)18)17-15(20-13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate?
[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate has a molecular weight of 291.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 174625016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).