(2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid

C15H23BN2O6S — CID 69040161

IUPAC(2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N(C(=O)O)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C15H23BN2O6S/c1-13(2,3)22-12(21)18(11(19)20)10-17-8-9(25-10)16-23-14(4,5)15(6,7)24-16/h8H,1-7H3,(H,19,20)
InChIKeyHUJMLMKWSDDIJP-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.86
Rot. Bonds2

About (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid

(2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 69040161) has the molecular formula C15H23BN2O6S and a molecular weight of 370.24 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID69040161
Molecular FormulaC15H23BN2O6S
Molecular Weight370.24 g/mol
Exact Mass370.14
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N(C(=O)O)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C15H23BN2O6S/c1-13(2,3)22-12(21)18(11(19)20)10-17-8-9(25-10)16-23-14(4,5)15(6,7)24-16/h8H,1-7H3,(H,19,20)
InChIKeyHUJMLMKWSDDIJP-UHFFFAOYSA-N
XLogP2.86
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid (CID 69040161) is (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid is CC(C)(C)OC(=O)N(C(=O)O)c1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is HUJMLMKWSDDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O6S/c1-13(2,3)22-12(21)18(11(19)20)10-17-8-9(25-10)16-23-14(4,5)15(6,7)24-16/h8H,1-7H3,(H,19,20).
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
(2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 370.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 69040161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).