2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C13H16N2O3S — CID 70493192

IUPAC2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESO=C(O)CO.c1ccc([C@H]2CN3CCSC3=N2)cc1
InChIInChI=1S/C11H12N2S.C2H4O3/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;3-1-2(4)5/h1-5,10H,6-8H2;3H,1H2,(H,4,5)/t10-;/m1./s1
InChIKeyLQQDKRQBCXRJEG-HNCPQSOCSA-N
MW280.35 g/mol
LogP1.21
Rot. Bonds2

About 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 70493192) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID70493192
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESO=C(O)CO.c1ccc([C@H]2CN3CCSC3=N2)cc1
InChIInChI=1S/C11H12N2S.C2H4O3/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;3-1-2(4)5/h1-5,10H,6-8H2;3H,1H2,(H,4,5)/t10-;/m1./s1
InChIKeyLQQDKRQBCXRJEG-HNCPQSOCSA-N
XLogP1.21
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 70493192) is 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is O=C(O)CO.c1ccc([C@H]2CN3CCSC3=N2)cc1.
What is the InChIKey of 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is LQQDKRQBCXRJEG-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12N2S.C2H4O3/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;3-1-2(4)5/h1-5,10H,6-8H2;3H,1H2,(H,4,5)/t10-;/m1./s1.
What are the key properties of 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 280.35 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70493192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).