[3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate

C20H26BFN2O5S — CID 175102638

IUPAC[3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate
SMILESCC(C)(C)c1c(Oc2nc(B3OC(C)(C)C(C)(C)O3)cs2)ccc(OC(N)=O)c1F
InChIInChI=1S/C20H26BFN2O5S/c1-18(2,3)14-11(8-9-12(15(14)22)26-16(23)25)27-17-24-13(10-30-17)21-28-19(4,5)20(6,7)29-21/h8-10H,1-7H3,(H2,23,25)
InChIKeyGGCRDFHQUULJFY-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.13
Rot. Bonds4

About [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate

[3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate (PubChem CID 175102638) has the molecular formula C20H26BFN2O5S and a molecular weight of 436.31 g/mol. Its IUPAC name is [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate.

Molecular Properties

Compound Name[3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate
PubChem CID175102638
Molecular FormulaC20H26BFN2O5S
Molecular Weight436.31 g/mol
Exact Mass436.16
IUPAC Name[3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate
SMILESCC(C)(C)c1c(Oc2nc(B3OC(C)(C)C(C)(C)O3)cs2)ccc(OC(N)=O)c1F
InChIInChI=1S/C20H26BFN2O5S/c1-18(2,3)14-11(8-9-12(15(14)22)26-16(23)25)27-17-24-13(10-30-17)21-28-19(4,5)20(6,7)29-21/h8-10H,1-7H3,(H2,23,25)
InChIKeyGGCRDFHQUULJFY-UHFFFAOYSA-N
XLogP4.13
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
CID 175097595
[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
CID 175104288
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl] acetate
CID 66520220
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl] carbamate
CID 175058223
[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate
CID 152507716
bis[2-tert-butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
CID 66909894
[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate
CID 91484895
tert-butyl-dimethyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methoxy]silane
CID 175653948
[1-[2,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-2,4-dimethylpent-3-en-2-yl] carbamate
CID 175071163
[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazin-3-yl] carbamate
CID 175284855
[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate
CID 175557539
(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate
CID 175557467

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate?
The IUPAC name of [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate (CID 175102638) is [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate.
What is the SMILES notation for [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate?
The canonical SMILES for [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate is CC(C)(C)c1c(Oc2nc(B3OC(C)(C)C(C)(C)O3)cs2)ccc(OC(N)=O)c1F.
What is the InChIKey of [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate?
The InChIKey is GGCRDFHQUULJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BFN2O5S/c1-18(2,3)14-11(8-9-12(15(14)22)26-16(23)25)27-17-24-13(10-30-17)21-28-19(4,5)20(6,7)29-21/h8-10H,1-7H3,(H2,23,25).
What are the key properties of [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate?
[3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate has a molecular weight of 436.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-2-fluoro-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]oxy]phenyl] carbamate is sourced from PubChem (CID 175102638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).