1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol

C11H11BrN2OS — CID 91619392

IUPAC1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol
SMILES[H]/N=c1\sccn1CC(O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c12-9-3-1-2-8(6-9)10(15)7-14-4-5-16-11(14)13/h1-6,10,13,15H,7H2/b13-11-
InChIKeyIGKQBMAHKRJMEK-QBFSEMIESA-N
MW299.19 g/mol
LogP2.53
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol

1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol (PubChem CID 91619392) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol
PubChem CID91619392
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol
SMILES[H]/N=c1\sccn1CC(O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c12-9-3-1-2-8(6-9)10(15)7-14-4-5-16-11(14)13/h1-6,10,13,15H,7H2/b13-11-
InChIKeyIGKQBMAHKRJMEK-QBFSEMIESA-N
XLogP2.53
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol (CID 91619392) is 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol is [H]/N=c1\sccn1CC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol?
The InChIKey is IGKQBMAHKRJMEK-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-9-3-1-2-8(6-9)10(15)7-14-4-5-16-11(14)13/h1-6,10,13,15H,7H2/b13-11-.
What are the key properties of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol?
1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol has a molecular weight of 299.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanol is sourced from PubChem (CID 91619392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).