tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate

C17H29BN2O4S — CID 58688452

IUPACtert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C17H29BN2O4S/c1-11(2)20(14(21)22-15(3,4)5)13-19-10-12(25-13)18-23-16(6,7)17(8,9)24-18/h10-11H,1-9H3
InChIKeyYQHNYCPEFFIMMT-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.59
Rot. Bonds3

About tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 58688452) has the molecular formula C17H29BN2O4S and a molecular weight of 368.31 g/mol. Its IUPAC name is tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID58688452
Molecular FormulaC17H29BN2O4S
Molecular Weight368.31 g/mol
Exact Mass368.19
IUPAC Nametert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C17H29BN2O4S/c1-11(2)20(14(21)22-15(3,4)5)13-19-10-12(25-13)18-23-16(6,7)17(8,9)24-18/h10-11H,1-9H3
InChIKeyYQHNYCPEFFIMMT-UHFFFAOYSA-N
XLogP3.59
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl)carbamate
CID 72210849
tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl)piperazine-1-carboxylate
CID 66520890
N,N-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)thiazol-2-amine
CID 66521348
ethyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 90671204
Methyl-(5-tributylstannanylthiazol-2-yl)carbamic acid tert-butyl ester
CID 15461517
tert-Butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl)((2-(trimethylsilyl)ethoxy)methyl)carbamate
CID 46192255
Tert-butyl isopropyl(5-(tributylstannyl)thiazol-2-yl)carbamate
CID 58207969
Tert-butyl isopropyl(thiazol-2-yl)carbamate
CID 58207984
Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate
CID 58688351
tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 59177715
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
CID 59380135
[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-(2,3,3-trimethylbutan-2-yl)carbamic acid
CID 66607494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate (CID 58688452) is tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate is CC(C)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is YQHNYCPEFFIMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BN2O4S/c1-11(2)20(14(21)22-15(3,4)5)13-19-10-12(25-13)18-23-16(6,7)17(8,9)24-18/h10-11H,1-9H3.
What are the key properties of tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 368.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-yl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 58688452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).