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

C7H10BrNS — CID 10889421

IUPAC4-bromo-2-butan-2-yl-1,3-thiazole
SMILESCCC(C)c1nc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-3-5(2)7-9-6(8)4-10-7/h4-5H,3H2,1-2H3
InChIKeyUSRALFKXVNOLFI-UHFFFAOYSA-N
MW220.13 g/mol
LogP3.42
Rot. Bonds2

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

4-bromo-2-butan-2-yl-1,3-thiazole (PubChem CID 10889421) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 4-bromo-2-butan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-butan-2-yl-1,3-thiazole
PubChem CID10889421
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name4-bromo-2-butan-2-yl-1,3-thiazole
SMILESCCC(C)c1nc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-3-5(2)7-9-6(8)4-10-7/h4-5H,3H2,1-2H3
InChIKeyUSRALFKXVNOLFI-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2763182
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CID 45141884
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
4-Bromo-2-(1,1-difluoroethyl)-1,3-thiazole
CID 84792020
4-Bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789578
4-Bromo-2-butyl-1,3-thiazole
CID 11096125
4-Bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole
CID 11183861
4-Bromo-2-(iso-butyl)thiazole
CID 10932955
4-Bromo-2-ethylthiazole
CID 18761614
4-Fluoro-2-propan-2-yl-1,3-thiazole
CID 89974979
1-(4-Bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one
CID 11160645

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butan-2-yl-1,3-thiazole?
The IUPAC name of 4-bromo-2-butan-2-yl-1,3-thiazole (CID 10889421) is 4-bromo-2-butan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-butan-2-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-butan-2-yl-1,3-thiazole is CCC(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-butan-2-yl-1,3-thiazole?
The InChIKey is USRALFKXVNOLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-3-5(2)7-9-6(8)4-10-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-bromo-2-butan-2-yl-1,3-thiazole?
4-bromo-2-butan-2-yl-1,3-thiazole has a molecular weight of 220.13 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butan-2-yl-1,3-thiazole is sourced from PubChem (CID 10889421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).