2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C13H20BNO3S — CID 172644071

IUPAC2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCc1nc(OC2CC2)sc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H20BNO3S/c1-8-10(19-11(15-8)16-9-6-7-9)14-17-12(2,3)13(4,5)18-14/h9H,6-7H2,1-5H3
InChIKeyDNYOPNSUMNDQFB-UHFFFAOYSA-N
MW281.19 g/mol
LogP2.29
Rot. Bonds3

About 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 172644071) has the molecular formula C13H20BNO3S and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
PubChem CID172644071
Molecular FormulaC13H20BNO3S
Molecular Weight281.19 g/mol
Exact Mass281.13
IUPAC Name2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCc1nc(OC2CC2)sc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H20BNO3S/c1-8-10(19-11(15-8)16-9-6-7-9)14-17-12(2,3)13(4,5)18-14/h9H,6-7H2,1-5H3
InChIKeyDNYOPNSUMNDQFB-UHFFFAOYSA-N
XLogP2.29
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 172644523
4-methyl-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 2795497
2-(6-cyclopropyloxynaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131440071
tert-butyl 3-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]azetidine-1-carboxylate
CID 172645264
6-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
CID 133057557
4,4,5,5-tetramethyl-2-[4-methyl-2-(4-methylcyclohexyl)oxyphenyl]-1,3,2-dioxaborolane
CID 157140206
6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 166595150
[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 91901639
tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 167720699
2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164653939
2-cyclopropyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile
CID 133055707
(2-chlorophenyl)-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methanone
CID 91901647

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The IUPAC name of 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 172644071) is 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is Cc1nc(OC2CC2)sc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The InChIKey is DNYOPNSUMNDQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BNO3S/c1-8-10(19-11(15-8)16-9-6-7-9)14-17-12(2,3)13(4,5)18-14/h9H,6-7H2,1-5H3.
What are the key properties of 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole has a molecular weight of 281.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 172644071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).