(2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol

C7H9N3OS — CID 96563238

IUPAC(2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol
SMILESN[C@H](CO)c1ncc2sccn12
InChIInChI=1S/C7H9N3OS/c8-5(4-11)7-9-3-6-10(7)1-2-12-6/h1-3,5,11H,4,8H2/t5-/m1/s1
InChIKeySILJUQXXYZFWRT-RXMQYKEDSA-N
MW183.24 g/mol
LogP0.39
Rot. Bonds2

About (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol

(2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol (PubChem CID 96563238) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol
PubChem CID96563238
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name(2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol
SMILESN[C@H](CO)c1ncc2sccn12
InChIInChI=1S/C7H9N3OS/c8-5(4-11)7-9-3-6-10(7)1-2-12-6/h1-3,5,11H,4,8H2/t5-/m1/s1
InChIKeySILJUQXXYZFWRT-RXMQYKEDSA-N
XLogP0.39
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazo[5,1-b][1,3]thiazol-5-ylethyl)formamide
CID 19605208
2-amino-2-imidazo[1,2-c]pyrimidin-5-ylethanol
CID 82410065
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
5-phenylimidazo[5,1-b][1,3]thiazole
CID 18922518
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
2-amino-2-(5-chloropyrazin-2-yl)ethanol
CID 83827335
2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol
CID 83844192
2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol
CID 84662868
2-amino-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanol
CID 83886087
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 24695884
N-[(2R)-1-hydroxypropan-2-yl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 79031728
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol?
The IUPAC name of (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol (CID 96563238) is (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol.
What is the SMILES notation for (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol?
The canonical SMILES for (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol is N[C@H](CO)c1ncc2sccn12.
What is the InChIKey of (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol?
The InChIKey is SILJUQXXYZFWRT-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9N3OS/c8-5(4-11)7-9-3-6-10(7)1-2-12-6/h1-3,5,11H,4,8H2/t5-/m1/s1.
What are the key properties of (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol?
(2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol has a molecular weight of 183.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-imidazo[5,1-b][1,3]thiazol-5-ylethanol is sourced from PubChem (CID 96563238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).