2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one

C14H16FNOS — CID 91285769

IUPAC2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one
SMILESCc1ccc(-c2cc(=O)n(C(C)(C)C)s2)c(F)c1
InChIInChI=1S/C14H16FNOS/c1-9-5-6-10(11(15)7-9)12-8-13(17)16(18-12)14(2,3)4/h5-8H,1-4H3
InChIKeyXWFJRHMZSBXINK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.78
Rot. Bonds1

About 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one

2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one (PubChem CID 91285769) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one
PubChem CID91285769
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one
SMILESCc1ccc(-c2cc(=O)n(C(C)(C)C)s2)c(F)c1
InChIInChI=1S/C14H16FNOS/c1-9-5-6-10(11(15)7-9)12-8-13(17)16(18-12)14(2,3)4/h5-8H,1-4H3
InChIKeyXWFJRHMZSBXINK-UHFFFAOYSA-N
XLogP3.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 143032987
2-Tert-butyl-1-oxo-5-phenyl-1,2-thiazol-3-one
CID 16717602
(E)-N-tert-butyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2536404
N-tert-butyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 4875909
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923522
2-tert-Butyl-5-(2-fluoro-4-methylphenyl)isothiazol-3(2H)-one 1,1-dioxide
CID 11580240
N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923521
(E)-3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 39902992
N-tert-butyl-3-(3-fluorophenyl)prop-2-enamide
CID 60643159
(E)-N-tert-butyl-3-(2-fluorophenyl)prop-2-enamide
CID 60645301
3-(4-fluorophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 72033775
CID 73010792
CID 73010792

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one?
The IUPAC name of 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one (CID 91285769) is 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one?
The canonical SMILES for 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one is Cc1ccc(-c2cc(=O)n(C(C)(C)C)s2)c(F)c1.
What is the InChIKey of 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one?
The InChIKey is XWFJRHMZSBXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9-5-6-10(11(15)7-9)12-8-13(17)16(18-12)14(2,3)4/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one?
2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one has a molecular weight of 265.35 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 91285769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).