3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid

C8H12N2O2S — CID 95048229

IUPAC3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CN2CCSC2=N1
InChIInChI=1S/C8H12N2O2S/c11-7(12)2-1-6-5-10-3-4-13-8(10)9-6/h6H,1-5H2,(H,11,12)/t6-/m0/s1
InChIKeyQKWSEWAHYIEGGG-LURJTMIESA-N
MW200.26 g/mol
LogP0.64
Rot. Bonds3

About 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid

3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid (PubChem CID 95048229) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid
PubChem CID95048229
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CN2CCSC2=N1
InChIInChI=1S/C8H12N2O2S/c11-7(12)2-1-6-5-10-3-4-13-8(10)9-6/h6H,1-5H2,(H,11,12)/t6-/m0/s1
InChIKeyQKWSEWAHYIEGGG-LURJTMIESA-N
XLogP0.64
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid?
The IUPAC name of 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid (CID 95048229) is 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid.
What is the SMILES notation for 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid?
The canonical SMILES for 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid is O=C(O)CC[C@H]1CN2CCSC2=N1.
What is the InChIKey of 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid?
The InChIKey is QKWSEWAHYIEGGG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-7(12)2-1-6-5-10-3-4-13-8(10)9-6/h6H,1-5H2,(H,11,12)/t6-/m0/s1.
What are the key properties of 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid?
3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid has a molecular weight of 200.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]propanoic acid is sourced from PubChem (CID 95048229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).