(2-cyclopropyl-1,3-thiazol-4-yl)boronic acid

C6H8BNO2S — CID 146160593

IUPAC(2-cyclopropyl-1,3-thiazol-4-yl)boronic acid
SMILESOB(O)c1csc(C2CC2)n1
InChIInChI=1S/C6H8BNO2S/c9-7(10)5-3-11-6(8-5)4-1-2-4/h3-4,9-10H,1-2H2
InChIKeyCSXDLTIJRMQZNZ-UHFFFAOYSA-N
MW169.01 g/mol
LogP-0.30
Rot. Bonds2

About (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid

(2-cyclopropyl-1,3-thiazol-4-yl)boronic acid (PubChem CID 146160593) has the molecular formula C6H8BNO2S and a molecular weight of 169.01 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-thiazol-4-yl)boronic acid
PubChem CID146160593
Molecular FormulaC6H8BNO2S
Molecular Weight169.01 g/mol
Exact Mass169.04
IUPAC Name(2-cyclopropyl-1,3-thiazol-4-yl)boronic acid
SMILESOB(O)c1csc(C2CC2)n1
InChIInChI=1S/C6H8BNO2S/c9-7(10)5-3-11-6(8-5)4-1-2-4/h3-4,9-10H,1-2H2
InChIKeyCSXDLTIJRMQZNZ-UHFFFAOYSA-N
XLogP-0.30
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 130831676
2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
CID 121449499
2-cyclopropyl-1,3-thiazole-4-carbonitrile
CID 82651504
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-(2-cyclohexyl-1,3-thiazol-4-yl)cyclohexan-1-ol
CID 116890500
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
CID 169267593
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
CID 115087796
2-(4-propylcyclohexyl)-1,3-thiazol-4-ol
CID 130501522
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889217

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid?
The IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid (CID 146160593) is (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid.
What is the SMILES notation for (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid?
The canonical SMILES for (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid is OB(O)c1csc(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid?
The InChIKey is CSXDLTIJRMQZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO2S/c9-7(10)5-3-11-6(8-5)4-1-2-4/h3-4,9-10H,1-2H2.
What are the key properties of (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid?
(2-cyclopropyl-1,3-thiazol-4-yl)boronic acid has a molecular weight of 169.01 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-thiazol-4-yl)boronic acid is sourced from PubChem (CID 146160593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).