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

C6H8BrNO2S2 — CID 117189196

IUPAC4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole
SMILESCC(C)S(=O)(=O)c1nc(Br)cs1
InChIInChI=1S/C6H8BrNO2S2/c1-4(2)12(9,10)6-8-5(7)3-11-6/h3-4H,1-2H3
InChIKeyFAJJHGFADQWWGN-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.09
Rot. Bonds2

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

4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole (PubChem CID 117189196) has the molecular formula C6H8BrNO2S2 and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole
PubChem CID117189196
Molecular FormulaC6H8BrNO2S2
Molecular Weight270.17 g/mol
Exact Mass268.92
IUPAC Name4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole
SMILESCC(C)S(=O)(=O)c1nc(Br)cs1
InChIInChI=1S/C6H8BrNO2S2/c1-4(2)12(9,10)6-8-5(7)3-11-6/h3-4H,1-2H3
InChIKeyFAJJHGFADQWWGN-UHFFFAOYSA-N
XLogP2.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole (CID 117189196) is 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole is CC(C)S(=O)(=O)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole?
The InChIKey is FAJJHGFADQWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2S2/c1-4(2)12(9,10)6-8-5(7)3-11-6/h3-4H,1-2H3.
What are the key properties of 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole?
4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole has a molecular weight of 270.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 117189196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).