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

C5H6BrNS — CID 18761614

IUPAC4-bromo-2-ethyl-1,3-thiazole
SMILESCCc1nc(Br)cs1
InChIInChI=1S/C5H6BrNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3
InChIKeyUGOTVBQVKYAZSV-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.47
Rot. Bonds1

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

4-bromo-2-ethyl-1,3-thiazole (PubChem CID 18761614) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-ethyl-1,3-thiazole
PubChem CID18761614
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name4-bromo-2-ethyl-1,3-thiazole
SMILESCCc1nc(Br)cs1
InChIInChI=1S/C5H6BrNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3
InChIKeyUGOTVBQVKYAZSV-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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Related Compounds

4-Bromo-2-isopropyl-1,3-thiazole
CID 2763182
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-(tributylstannyl)-1,3-thiazole
CID 11048687
1-(4-Bromo-1,3-thiazol-2-yl)ethan-1-one
CID 11171754
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-2-cyclopropyl-1,3-thiazole
CID 45141884
4-Bromo-1,3-thiazole-2-carbonitrile
CID 45787503
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
4-Bromo-2-(difluoromethyl)-1,3-thiazole
CID 84783298
4-Bromo-2-(1,1-difluoroethyl)-1,3-thiazole
CID 84792020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-ethyl-1,3-thiazole (CID 18761614) is 4-bromo-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-ethyl-1,3-thiazole is CCc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-ethyl-1,3-thiazole?
The InChIKey is UGOTVBQVKYAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3.
What are the key properties of 4-bromo-2-ethyl-1,3-thiazole?
4-bromo-2-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 4-bromo-2-ethyl-1,3-thiazole is sourced from PubChem (CID 18761614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).