2-bromo-5-ethyl-1,3-thiazole

C5H6BrNS — CID 19369685

IUPAC2-bromo-5-ethyl-1,3-thiazole
SMILESCCc1cnc(Br)s1
InChIInChI=1S/C5H6BrNS/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3
InChIKeyGTUCNDIOXDOBPC-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.47
Rot. Bonds1

About 2-bromo-5-ethyl-1,3-thiazole

2-bromo-5-ethyl-1,3-thiazole (PubChem CID 19369685) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 2-bromo-5-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-ethyl-1,3-thiazole
PubChem CID19369685
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name2-bromo-5-ethyl-1,3-thiazole
SMILESCCc1cnc(Br)s1
InChIInChI=1S/C5H6BrNS/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3
InChIKeyGTUCNDIOXDOBPC-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethyl-1,3-thiazole?
The IUPAC name of 2-bromo-5-ethyl-1,3-thiazole (CID 19369685) is 2-bromo-5-ethyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-ethyl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-ethyl-1,3-thiazole is CCc1cnc(Br)s1.
What is the InChIKey of 2-bromo-5-ethyl-1,3-thiazole?
The InChIKey is GTUCNDIOXDOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3.
What are the key properties of 2-bromo-5-ethyl-1,3-thiazole?
2-bromo-5-ethyl-1,3-thiazole has a molecular weight of 192.08 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethyl-1,3-thiazole is sourced from PubChem (CID 19369685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).