5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole

C12H18BrNS — CID 82437074

IUPAC5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole
SMILESCCC(CC)c1nc(C2CC2)c(CBr)s1
InChIInChI=1S/C12H18BrNS/c1-3-8(4-2)12-14-11(9-5-6-9)10(7-13)15-12/h8-9H,3-7H2,1-2H3
InChIKeyMZUIBBPABOQJDT-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.82
Rot. Bonds5

About 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole

5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole (PubChem CID 82437074) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole
PubChem CID82437074
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole
SMILESCCC(CC)c1nc(C2CC2)c(CBr)s1
InChIInChI=1S/C12H18BrNS/c1-3-8(4-2)12-14-11(9-5-6-9)10(7-13)15-12/h8-9H,3-7H2,1-2H3
InChIKeyMZUIBBPABOQJDT-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole (CID 82437074) is 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole is CCC(CC)c1nc(C2CC2)c(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole?
The InChIKey is MZUIBBPABOQJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-3-8(4-2)12-14-11(9-5-6-9)10(7-13)15-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole?
5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole has a molecular weight of 288.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole is sourced from PubChem (CID 82437074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).