2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol

C13H15BrN2OS — CID 97353571

IUPAC2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
SMILESC[C@H](NCCO)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H15BrN2OS/c1-9(15-6-7-17)13-16-12(8-18-13)10-2-4-11(14)5-3-10/h2-5,8-9,15,17H,6-7H2,1H3/t9-/m0/s1
InChIKeyIXFTTWQRNGIFKB-VIFPVBQESA-N
MW327.25 g/mol
LogP3.22
Rot. Bonds5

About 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol

2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol (PubChem CID 97353571) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
PubChem CID97353571
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
SMILESC[C@H](NCCO)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H15BrN2OS/c1-9(15-6-7-17)13-16-12(8-18-13)10-2-4-11(14)5-3-10/h2-5,8-9,15,17H,6-7H2,1H3/t9-/m0/s1
InChIKeyIXFTTWQRNGIFKB-VIFPVBQESA-N
XLogP3.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-[2-(1-methyltriazol-4-yl)ethyl]ethanamine
CID 131962153
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
CID 119812957
3-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanoic acid
CID 122006908
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967248
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119812966
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
CID 146094803
4-(4-bromophenyl)-4-oxo-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]butanamide
CID 86933082
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338979
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133420638
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119340374

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol (CID 97353571) is 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol is C[C@H](NCCO)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
The InChIKey is IXFTTWQRNGIFKB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-9(15-6-7-17)13-16-12(8-18-13)10-2-4-11(14)5-3-10/h2-5,8-9,15,17H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol?
2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol has a molecular weight of 327.25 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol is sourced from PubChem (CID 97353571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).