2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate

C7H7N2O3S- — CID 7279619

IUPAC2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate
SMILESO=C([O-])C[C@@H]1SC2=NCCN2C1=O
InChIInChI=1S/C7H8N2O3S/c10-5(11)3-4-6(12)9-2-1-8-7(9)13-4/h4H,1-3H2,(H,10,11)/p-1/t4-/m0/s1
InChIKeyBMOQXPGFAUYFBL-BYPYZUCNSA-M
MW199.21 g/mol
LogP-1.56
Rot. Bonds2

About 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate

2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate (PubChem CID 7279619) has the molecular formula C7H7N2O3S- and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate.

Molecular Properties

Compound Name2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate
PubChem CID7279619
Molecular FormulaC7H7N2O3S-
Molecular Weight199.21 g/mol
Exact Mass199.02
IUPAC Name2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate
SMILESO=C([O-])C[C@@H]1SC2=NCCN2C1=O
InChIInChI=1S/C7H8N2O3S/c10-5(11)3-4-6(12)9-2-1-8-7(9)13-4/h4H,1-3H2,(H,10,11)/p-1/t4-/m0/s1
InChIKeyBMOQXPGFAUYFBL-BYPYZUCNSA-M
XLogP-1.56
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The IUPAC name of 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate (CID 7279619) is 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate.
What is the SMILES notation for 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The canonical SMILES for 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate is O=C([O-])C[C@@H]1SC2=NCCN2C1=O.
What is the InChIKey of 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
The InChIKey is BMOQXPGFAUYFBL-BYPYZUCNSA-M. The full InChI is InChI=1S/C7H8N2O3S/c10-5(11)3-4-6(12)9-2-1-8-7(9)13-4/h4H,1-3H2,(H,10,11)/p-1/t4-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate?
2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate has a molecular weight of 199.21 g/mol, XLogP of -1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetate is sourced from PubChem (CID 7279619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).