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

C15H25BN2O4S — CID 59177715

IUPACtert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C15H25BN2O4S/c1-13(2,3)20-12(19)18(8)11-17-9-10(23-11)16-21-14(4,5)15(6,7)22-16/h9H,1-8H3
InChIKeyQKKFFOJVLPQEEQ-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.81
Rot. Bonds2

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

tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 59177715) has the molecular formula C15H25BN2O4S and a molecular weight of 340.25 g/mol. Its IUPAC name is tert-butyl N-methyl-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-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID59177715
Molecular FormulaC15H25BN2O4S
Molecular Weight340.25 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C15H25BN2O4S/c1-13(2,3)20-12(19)18(8)11-17-9-10(23-11)16-21-14(4,5)15(6,7)22-16/h9H,1-8H3
InChIKeyQKKFFOJVLPQEEQ-UHFFFAOYSA-N
XLogP2.81
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-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-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate (CID 59177715) is tert-butyl N-methyl-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-methyl-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-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate is CN(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is QKKFFOJVLPQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BN2O4S/c1-13(2,3)20-12(19)18(8)11-17-9-10(23-11)16-21-14(4,5)15(6,7)22-16/h9H,1-8H3.
What are the key properties of tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 340.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 59177715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).