2-bromo-4-cyclopropyl-1,3-thiazole

C6H6BrNS — CID 45142087

IUPAC2-bromo-4-cyclopropyl-1,3-thiazole
SMILESBrc1nc(C2CC2)cs1
InChIInChI=1S/C6H6BrNS/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2
InChIKeyKSFCLCADEPTWLI-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.78
Rot. Bonds1

About 2-bromo-4-cyclopropyl-1,3-thiazole

2-bromo-4-cyclopropyl-1,3-thiazole (PubChem CID 45142087) has the molecular formula C6H6BrNS and a molecular weight of 204.09 g/mol. Its IUPAC name is 2-bromo-4-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-cyclopropyl-1,3-thiazole
PubChem CID45142087
Molecular FormulaC6H6BrNS
Molecular Weight204.09 g/mol
Exact Mass202.94
IUPAC Name2-bromo-4-cyclopropyl-1,3-thiazole
SMILESBrc1nc(C2CC2)cs1
InChIInChI=1S/C6H6BrNS/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2
InChIKeyKSFCLCADEPTWLI-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclopropyl-1,3-thiazole?
The IUPAC name of 2-bromo-4-cyclopropyl-1,3-thiazole (CID 45142087) is 2-bromo-4-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-cyclopropyl-1,3-thiazole?
The canonical SMILES for 2-bromo-4-cyclopropyl-1,3-thiazole is Brc1nc(C2CC2)cs1.
What is the InChIKey of 2-bromo-4-cyclopropyl-1,3-thiazole?
The InChIKey is KSFCLCADEPTWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNS/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-bromo-4-cyclopropyl-1,3-thiazole?
2-bromo-4-cyclopropyl-1,3-thiazole has a molecular weight of 204.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 45142087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).