1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one

C7H8BrNOS — CID 11160645

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1nc(Br)cs1
InChIInChI=1S/C7H8BrNOS/c1-4(2)6(10)7-9-5(8)3-11-7/h3-4H,1-2H3
InChIKeyRHTFAZUHXOAUEH-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.74
Rot. Bonds2

About 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one

1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one (PubChem CID 11160645) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one
PubChem CID11160645
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1nc(Br)cs1
InChIInChI=1S/C7H8BrNOS/c1-4(2)6(10)7-9-5(8)3-11-7/h3-4H,1-2H3
InChIKeyRHTFAZUHXOAUEH-UHFFFAOYSA-N
XLogP2.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one (CID 11160645) is 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1nc(Br)cs1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one?
The InChIKey is RHTFAZUHXOAUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-4(2)6(10)7-9-5(8)3-11-7/h3-4H,1-2H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one?
1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one has a molecular weight of 234.12 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 11160645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).