(4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone

C9H10BrNOS — CID 130901262

IUPAC(4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone
SMILESCCC1CC1C(=O)c1nc(Br)cs1
InChIInChI=1S/C9H10BrNOS/c1-2-5-3-6(5)8(12)9-11-7(10)4-13-9/h4-6H,2-3H2,1H3
InChIKeyGUECYXUAEPUDIE-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.13
Rot. Bonds3

About (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone

(4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone (PubChem CID 130901262) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone
PubChem CID130901262
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone
SMILESCCC1CC1C(=O)c1nc(Br)cs1
InChIInChI=1S/C9H10BrNOS/c1-2-5-3-6(5)8(12)9-11-7(10)4-13-9/h4-6H,2-3H2,1H3
InChIKeyGUECYXUAEPUDIE-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 (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone (CID 130901262) is (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone is CCC1CC1C(=O)c1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone?
The InChIKey is GUECYXUAEPUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-2-5-3-6(5)8(12)9-11-7(10)4-13-9/h4-6H,2-3H2,1H3.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone?
(4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone 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 (4-bromo-1,3-thiazol-2-yl)-(2-ethylcyclopropyl)methanone is sourced from PubChem (CID 130901262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).