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

C6H8BrNS — CID 2763182

IUPAC4-bromo-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-4(2)6-8-5(7)3-9-6/h3-4H,1-2H3
InChIKeyMIHUGKROHGQVQY-UHFFFAOYSA-N
MW206.11 g/mol
LogP3.03
Rot. Bonds1

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

4-bromo-2-propan-2-yl-1,3-thiazole (PubChem CID 2763182) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-1,3-thiazole
PubChem CID2763182
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name4-bromo-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-4(2)6-8-5(7)3-9-6/h3-4H,1-2H3
InChIKeyMIHUGKROHGQVQY-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-(tributylstannyl)-1,3-thiazole
CID 11048687
2-(4-Bromo-1,3-thiazol-2-yl)propan-2-ol
CID 2763183
4-Bromo-2-cyclopropyl-1,3-thiazole
CID 45141884
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
4-Bromo-2-(1,1-difluoroethyl)-1,3-thiazole
CID 84792020
2-(4-Bromo-1,3-thiazol-2-yl)acetonitrile
CID 130138905
4-Bromo-2-prop-2-enyl-1,3-thiazole
CID 68969530
4-Bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789578
4-Bromo-2-(bromomethyl)-1,3-thiazole hydrobromide
CID 155977847
4-Bromo-2-(sec-butyl)thiazole
CID 10889421
4-Bromo-2-butyl-1,3-thiazole
CID 11096125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-bromo-2-propan-2-yl-1,3-thiazole (CID 2763182) is 4-bromo-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-propan-2-yl-1,3-thiazole?
The InChIKey is MIHUGKROHGQVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS/c1-4(2)6-8-5(7)3-9-6/h3-4H,1-2H3.
What are the key properties of 4-bromo-2-propan-2-yl-1,3-thiazole?
4-bromo-2-propan-2-yl-1,3-thiazole has a molecular weight of 206.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 2763182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).