2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole

C7H7BrClNS — CID 107126092

IUPAC2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole
SMILESClc1cnc(C2CC2CBr)s1
InChIInChI=1S/C7H7BrClNS/c8-2-4-1-5(4)7-10-3-6(9)11-7/h3-5H,1-2H2
InChIKeyAGEPQCKXRGCNCG-UHFFFAOYSA-N
MW252.56 g/mol
LogP3.29
Rot. Bonds2

About 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole

2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole (PubChem CID 107126092) has the molecular formula C7H7BrClNS and a molecular weight of 252.56 g/mol. Its IUPAC name is 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole
PubChem CID107126092
Molecular FormulaC7H7BrClNS
Molecular Weight252.56 g/mol
Exact Mass250.92
IUPAC Name2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole
SMILESClc1cnc(C2CC2CBr)s1
InChIInChI=1S/C7H7BrClNS/c8-2-4-1-5(4)7-10-3-6(9)11-7/h3-5H,1-2H2
InChIKeyAGEPQCKXRGCNCG-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.56
LogP ≤ 53.29
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 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole?
The IUPAC name of 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole (CID 107126092) is 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole.
What is the SMILES notation for 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole?
The canonical SMILES for 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole is Clc1cnc(C2CC2CBr)s1.
What is the InChIKey of 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole?
The InChIKey is AGEPQCKXRGCNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNS/c8-2-4-1-5(4)7-10-3-6(9)11-7/h3-5H,1-2H2.
What are the key properties of 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole?
2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole has a molecular weight of 252.56 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole is sourced from PubChem (CID 107126092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).