2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol

C8H11BrN2OS — CID 79400025

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C8H11BrN2OS/c9-7-5-13-8(10-7)11(3-4-12)6-1-2-6/h5-6,12H,1-4H2
InChIKeyNECUKAWFMOJVLS-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.87
Rot. Bonds4

About 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol

2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol (PubChem CID 79400025) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
PubChem CID79400025
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol
SMILESOCCN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C8H11BrN2OS/c9-7-5-13-8(10-7)11(3-4-12)6-1-2-6/h5-6,12H,1-4H2
InChIKeyNECUKAWFMOJVLS-UHFFFAOYSA-N
XLogP1.87
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol (CID 79400025) is 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol is OCCN(c1nc(Br)cs1)C1CC1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol?
The InChIKey is NECUKAWFMOJVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c9-7-5-13-8(10-7)11(3-4-12)6-1-2-6/h5-6,12H,1-4H2.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol?
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol has a molecular weight of 263.16 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 79400025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).