2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol

C5H7BrN2OS — CID 114684436

IUPAC2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
SMILESNCC(O)c1nc(Br)cs1
InChIInChI=1S/C5H7BrN2OS/c6-4-2-10-5(8-4)3(9)1-7/h2-3,9H,1,7H2
InChIKeyQCDGUEJKSQMLFV-UHFFFAOYSA-N
MW223.09 g/mol
LogP0.90
Rot. Bonds2

About 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol

2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol (PubChem CID 114684436) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
PubChem CID114684436
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
SMILESNCC(O)c1nc(Br)cs1
InChIInChI=1S/C5H7BrN2OS/c6-4-2-10-5(8-4)3(9)1-7/h2-3,9H,1,7H2
InChIKeyQCDGUEJKSQMLFV-UHFFFAOYSA-N
XLogP0.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 44630590
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
CID 101486525
(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol
CID 114684195
(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
CID 51039708
2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966828
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
(4-bromo-1,3-thiazol-2-yl)-(3-methylthiophen-2-yl)methanol
CID 114684226
1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one
CID 159737342
(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol
CID 114684273
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol (CID 114684436) is 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol is NCC(O)c1nc(Br)cs1.
What is the InChIKey of 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol?
The InChIKey is QCDGUEJKSQMLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c6-4-2-10-5(8-4)3(9)1-7/h2-3,9H,1,7H2.
What are the key properties of 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol?
2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol has a molecular weight of 223.09 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 114684436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).