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

C10H15BN2O4S — CID 87560497

IUPAC[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC1(C)OB(c2cnc(NC(=O)O)s2)OC1(C)C
InChIInChI=1S/C10H15BN2O4S/c1-9(2)10(3,4)17-11(16-9)6-5-12-7(18-6)13-8(14)15/h5H,1-4H3,(H,12,13)(H,14,15)
InChIKeyULKSAOWDGMBQHV-UHFFFAOYSA-N
MW270.12 g/mol
LogP1.53
Rot. Bonds2

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

[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87560497) has the molecular formula C10H15BN2O4S and a molecular weight of 270.12 g/mol. Its IUPAC name is [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87560497
Molecular FormulaC10H15BN2O4S
Molecular Weight270.12 g/mol
Exact Mass270.08
IUPAC Name[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC1(C)OB(c2cnc(NC(=O)O)s2)OC1(C)C
InChIInChI=1S/C10H15BN2O4S/c1-9(2)10(3,4)17-11(16-9)6-5-12-7(18-6)13-8(14)15/h5H,1-4H3,(H,12,13)(H,14,15)
InChIKeyULKSAOWDGMBQHV-UHFFFAOYSA-N
XLogP1.53
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid (CID 87560497) is [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 [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid is CC1(C)OB(c2cnc(NC(=O)O)s2)OC1(C)C.
What is the InChIKey of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is ULKSAOWDGMBQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN2O4S/c1-9(2)10(3,4)17-11(16-9)6-5-12-7(18-6)13-8(14)15/h5H,1-4H3,(H,12,13)(H,14,15).
What are the key properties of [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid?
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 270.12 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87560497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).