2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid

C9H10N4O3S — CID 106411492

IUPAC2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCCc2ncon2)n1
InChIInChI=1S/C9H10N4O3S/c14-8(15)3-6-4-17-9(12-6)10-2-1-7-11-5-16-13-7/h4-5H,1-3H2,(H,10,12)(H,14,15)
InChIKeyLLTWWBNGPGKRPT-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.81
Rot. Bonds6

About 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 106411492) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID106411492
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCCc2ncon2)n1
InChIInChI=1S/C9H10N4O3S/c14-8(15)3-6-4-17-9(12-6)10-2-1-7-11-5-16-13-7/h4-5H,1-3H2,(H,10,12)(H,14,15)
InChIKeyLLTWWBNGPGKRPT-UHFFFAOYSA-N
XLogP0.81
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106404327
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
ethyl 2-methyl-2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106411506
2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576799
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106404734
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]acetic acid
CID 106395234
5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 106404263
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396454

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid (CID 106411492) is 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NCCc2ncon2)n1.
What is the InChIKey of 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LLTWWBNGPGKRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c14-8(15)3-6-4-17-9(12-6)10-2-1-7-11-5-16-13-7/h4-5H,1-3H2,(H,10,12)(H,14,15).
What are the key properties of 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 254.27 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 106411492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).