2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid

C11H12N6O2S — CID 116735089

IUPAC2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid
SMILESNC(Cc1cn(Cc2cn3ccsc3n2)nn1)C(=O)O
InChIInChI=1S/C11H12N6O2S/c12-9(10(18)19)3-7-5-17(15-14-7)6-8-4-16-1-2-20-11(16)13-8/h1-2,4-5,9H,3,6,12H2,(H,18,19)
InChIKeyOBZKZGYESLFPQQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP-0.01
Rot. Bonds5

About 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid

2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid (PubChem CID 116735089) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid
PubChem CID116735089
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC Name2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid
SMILESNC(Cc1cn(Cc2cn3ccsc3n2)nn1)C(=O)O
InChIInChI=1S/C11H12N6O2S/c12-9(10(18)19)3-7-5-17(15-14-7)6-8-4-16-1-2-20-11(16)13-8/h1-2,4-5,9H,3,6,12H2,(H,18,19)
InChIKeyOBZKZGYESLFPQQ-UHFFFAOYSA-N
XLogP-0.01
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
2-amino-3-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107052617
2-amino-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24884626
2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid
CID 116735088
2-amino-3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propanoic acid
CID 116734975
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol
CID 113461384
2-amino-3-[1-[[4-(hydroxymethyl)phenyl]methyl]triazol-4-yl]propanoic acid
CID 116735055
(2S)-2-amino-3-[1-(2-(18F)fluoroethyl)triazol-4-yl]propanoic acid;hydrochloride
CID 46944244
2-amino-3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]propanoic acid
CID 116735139
2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127
2-amino-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116734992
2-amino-3-(1-decyltriazol-4-yl)propanoic acid
CID 116735123

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid (CID 116735089) is 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid is NC(Cc1cn(Cc2cn3ccsc3n2)nn1)C(=O)O.
What is the InChIKey of 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid?
The InChIKey is OBZKZGYESLFPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c12-9(10(18)19)3-7-5-17(15-14-7)6-8-4-16-1-2-20-11(16)13-8/h1-2,4-5,9H,3,6,12H2,(H,18,19).
What are the key properties of 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid?
2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid has a molecular weight of 292.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid is sourced from PubChem (CID 116735089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).