N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine

C11H19BN2O2S — CID 66521348

IUPACN,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C11H19BN2O2S/c1-10(2)11(3,4)16-12(15-10)8-7-13-9(17-8)14(5)6/h7H,1-6H3
InChIKeyMPCRUDGWMMVKEG-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.51
Rot. Bonds2

About N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine

N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine (PubChem CID 66521348) has the molecular formula C11H19BN2O2S and a molecular weight of 254.16 g/mol. Its IUPAC name is N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
PubChem CID66521348
Molecular FormulaC11H19BN2O2S
Molecular Weight254.16 g/mol
Exact Mass254.13
IUPAC NameN,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C11H19BN2O2S/c1-10(2)11(3,4)16-12(15-10)8-7-13-9(17-8)14(5)6/h7H,1-6H3
InChIKeyMPCRUDGWMMVKEG-UHFFFAOYSA-N
XLogP1.51
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
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 N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine (CID 66521348) is N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine is CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is MPCRUDGWMMVKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN2O2S/c1-10(2)11(3,4)16-12(15-10)8-7-13-9(17-8)14(5)6/h7H,1-6H3.
What are the key properties of N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 254.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 66521348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).