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

C9H10BrNOS — CID 131145208

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one
SMILESCC(C(=O)c1nc(Br)cs1)C1CC1
InChIInChI=1S/C9H10BrNOS/c1-5(6-2-3-6)8(12)9-11-7(10)4-13-9/h4-6H,2-3H2,1H3
InChIKeyJIWMAGNORWSKAE-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.13
Rot. Bonds3

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

1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one (PubChem CID 131145208) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one
PubChem CID131145208
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one
SMILESCC(C(=O)c1nc(Br)cs1)C1CC1
InChIInChI=1S/C9H10BrNOS/c1-5(6-2-3-6)8(12)9-11-7(10)4-13-9/h4-6H,2-3H2,1H3
InChIKeyJIWMAGNORWSKAE-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.13
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-cyclopropylpropan-1-one?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one (CID 131145208) is 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one is CC(C(=O)c1nc(Br)cs1)C1CC1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one?
The InChIKey is JIWMAGNORWSKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-5(6-2-3-6)8(12)9-11-7(10)4-13-9/h4-6H,2-3H2,1H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one?
1-(4-bromo-1,3-thiazol-2-yl)-2-cyclopropylpropan-1-one has a molecular weight of 260.16 g/mol, XLogP of 3.13, 3 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-cyclopropylpropan-1-one is sourced from PubChem (CID 131145208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).