2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol

C9H9BrN2OS2 — CID 116890681

IUPAC2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESNCC(O)c1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H9BrN2OS2/c10-8-2-1-7(15-8)9-12-5(4-14-9)6(13)3-11/h1-2,4,6,13H,3,11H2
InChIKeyXEENYIDQYJYISK-UHFFFAOYSA-N
MW305.22 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol

2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 116890681) has the molecular formula C9H9BrN2OS2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID116890681
Molecular FormulaC9H9BrN2OS2
Molecular Weight305.22 g/mol
Exact Mass303.93
IUPAC Name2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESNCC(O)c1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H9BrN2OS2/c10-8-2-1-7(15-8)9-12-5(4-14-9)6(13)3-11/h1-2,4,6,13H,3,11H2
InChIKeyXEENYIDQYJYISK-UHFFFAOYSA-N
XLogP2.63
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol (CID 116890681) is 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol is NCC(O)c1csc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is XEENYIDQYJYISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS2/c10-8-2-1-7(15-8)9-12-5(4-14-9)6(13)3-11/h1-2,4,6,13H,3,11H2.
What are the key properties of 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol?
2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 305.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 116890681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).