1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol

C13H15BrN2OS — CID 55111987

IUPAC1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)Cc2cccc(Br)c2)s1
InChIInChI=1S/C13H15BrN2OS/c1-9(17)12-7-15-13(18-12)16(2)8-10-4-3-5-11(14)6-10/h3-7,9,17H,8H2,1-2H3
InChIKeyXXVOGXMCCAKHAI-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol

1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55111987) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
PubChem CID55111987
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)Cc2cccc(Br)c2)s1
InChIInChI=1S/C13H15BrN2OS/c1-9(17)12-7-15-13(18-12)16(2)8-10-4-3-5-11(14)6-10/h3-7,9,17H,8H2,1-2H3
InChIKeyXXVOGXMCCAKHAI-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 62752560
1-[2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 62753873
N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55112162
1-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754186
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780698
1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62755061
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
2-[(3-bromophenyl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688068
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
2-[(3-bromophenyl)methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol (CID 55111987) is 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N(C)Cc2cccc(Br)c2)s1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is XXVOGXMCCAKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-9(17)12-7-15-13(18-12)16(2)8-10-4-3-5-11(14)6-10/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol?
1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 327.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55111987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).