5-(3-bromopropyl)-1,2-thiazole

C6H8BrNS — CID 19828376

IUPAC5-(3-bromopropyl)-1,2-thiazole
SMILESBrCCCc1ccns1
InChIInChI=1S/C6H8BrNS/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2,4H2
InChIKeyFAHXSPXRGNQIFX-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.47
Rot. Bonds3

About 5-(3-bromopropyl)-1,2-thiazole

5-(3-bromopropyl)-1,2-thiazole (PubChem CID 19828376) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is 5-(3-bromopropyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(3-bromopropyl)-1,2-thiazole
PubChem CID19828376
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name5-(3-bromopropyl)-1,2-thiazole
SMILESBrCCCc1ccns1
InChIInChI=1S/C6H8BrNS/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2,4H2
InChIKeyFAHXSPXRGNQIFX-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.47
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-(3-bromopropyl)-1,2-thiazole?
The IUPAC name of 5-(3-bromopropyl)-1,2-thiazole (CID 19828376) is 5-(3-bromopropyl)-1,2-thiazole.
What is the SMILES notation for 5-(3-bromopropyl)-1,2-thiazole?
The canonical SMILES for 5-(3-bromopropyl)-1,2-thiazole is BrCCCc1ccns1.
What is the InChIKey of 5-(3-bromopropyl)-1,2-thiazole?
The InChIKey is FAHXSPXRGNQIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2,4H2.
What are the key properties of 5-(3-bromopropyl)-1,2-thiazole?
5-(3-bromopropyl)-1,2-thiazole has a molecular weight of 206.11 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromopropyl)-1,2-thiazole is sourced from PubChem (CID 19828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).