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

C12H21BN2O2S — CID 66521390

IUPACN-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
SMILESCCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C12H21BN2O2S/c1-7-15(6)10-14-8-9(18-10)13-16-11(2,3)12(4,5)17-13/h8H,7H2,1-6H3
InChIKeyDKJLFSIDCXSQRR-UHFFFAOYSA-N
MW268.19 g/mol
LogP1.90
Rot. Bonds3

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

N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine (PubChem CID 66521390) has the molecular formula C12H21BN2O2S and a molecular weight of 268.19 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
PubChem CID66521390
Molecular FormulaC12H21BN2O2S
Molecular Weight268.19 g/mol
Exact Mass268.14
IUPAC NameN-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
SMILESCCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C12H21BN2O2S/c1-7-15(6)10-14-8-9(18-10)13-16-11(2,3)12(4,5)17-13/h8H,7H2,1-6H3
InChIKeyDKJLFSIDCXSQRR-UHFFFAOYSA-N
XLogP1.90
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.90
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-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine (CID 66521390) is N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine is CCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is DKJLFSIDCXSQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BN2O2S/c1-7-15(6)10-14-8-9(18-10)13-16-11(2,3)12(4,5)17-13/h8H,7H2,1-6H3.
What are the key properties of N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine?
N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 268.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 66521390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).