2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole

C8H10BrNS — CID 63353715

IUPAC2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole
SMILESBrC(Cc1nccs1)C1CC1
InChIInChI=1S/C8H10BrNS/c9-7(6-1-2-6)5-8-10-3-4-11-8/h3-4,6-7H,1-2,5H2
InChIKeyZHADGUBNNIHPBG-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.86
Rot. Bonds3

About 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole

2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole (PubChem CID 63353715) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole
PubChem CID63353715
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole
SMILESBrC(Cc1nccs1)C1CC1
InChIInChI=1S/C8H10BrNS/c9-7(6-1-2-6)5-8-10-3-4-11-8/h3-4,6-7H,1-2,5H2
InChIKeyZHADGUBNNIHPBG-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromo-2-cyclopropylethyl)-1,2,4-thiadiazole
CID 65280504
1-cyclohexyl-2-(1,3-thiazol-2-yl)ethanol
CID 79824321
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105115363
1-cyclohexyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105014924
N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105169149
[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105232079
[1-cyclooctyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105255195
[1-cyclopropyl-1-methoxy-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105272874
1-(6-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822466
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825132
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324654

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole?
The IUPAC name of 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole (CID 63353715) is 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole is BrC(Cc1nccs1)C1CC1.
What is the InChIKey of 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole?
The InChIKey is ZHADGUBNNIHPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c9-7(6-1-2-6)5-8-10-3-4-11-8/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole?
2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole has a molecular weight of 232.15 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole is sourced from PubChem (CID 63353715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).