4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole

C6H8BrNS2 — CID 79400182

IUPAC4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole
SMILESCC(C)Sc1nc(Br)cs1
InChIInChI=1S/C6H8BrNS2/c1-4(2)10-6-8-5(7)3-9-6/h3-4H,1-2H3
InChIKeyPQMDCCPSRAFTBO-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.41
Rot. Bonds2

About 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole

4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole (PubChem CID 79400182) has the molecular formula C6H8BrNS2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole
PubChem CID79400182
Molecular FormulaC6H8BrNS2
Molecular Weight238.18 g/mol
Exact Mass236.93
IUPAC Name4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole
SMILESCC(C)Sc1nc(Br)cs1
InChIInChI=1S/C6H8BrNS2/c1-4(2)10-6-8-5(7)3-9-6/h3-4H,1-2H3
InChIKeyPQMDCCPSRAFTBO-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-isopropyl-1,3-thiazole
CID 2763182
2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-(trimethylsilyl)-1,3-thiazole
CID 4340399
4-Bromo-2-(tributylstannyl)-1,3-thiazole
CID 11048687
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
4-Bromo-2-(bromomethyl)-1,3-thiazole hydrobromide
CID 155977847

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole (CID 79400182) is 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole is CC(C)Sc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole?
The InChIKey is PQMDCCPSRAFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS2/c1-4(2)10-6-8-5(7)3-9-6/h3-4H,1-2H3.
What are the key properties of 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole?
4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole has a molecular weight of 238.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-ylsulfanyl-1,3-thiazole is sourced from PubChem (CID 79400182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).