2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid

C10H12N6O3S — CID 115458123

IUPAC2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESNc1nc(CC(=O)NCc2cn(CC(=O)O)nn2)cs1
InChIInChI=1S/C10H12N6O3S/c11-10-13-6(5-20-10)1-8(17)12-2-7-3-16(15-14-7)4-9(18)19/h3,5H,1-2,4H2,(H2,11,13)(H,12,17)(H,18,19)
InChIKeyMRTNRYOYXVCFAL-UHFFFAOYSA-N
MW296.31 g/mol
LogP-0.74
Rot. Bonds6

About 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458123) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458123
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESNc1nc(CC(=O)NCc2cn(CC(=O)O)nn2)cs1
InChIInChI=1S/C10H12N6O3S/c11-10-13-6(5-20-10)1-8(17)12-2-7-3-16(15-14-7)4-9(18)19/h3,5H,1-2,4H2,(H2,11,13)(H,12,17)(H,18,19)
InChIKeyMRTNRYOYXVCFAL-UHFFFAOYSA-N
XLogP-0.74
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698581
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698661
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458127
2-[4-[[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458614
2-[4-[[(5-aminopyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458096
2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457511
2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629186
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658
2-[4-[[[3-(methoxymethyl)thiophene-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698974
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid (CID 115458123) is 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid is Nc1nc(CC(=O)NCc2cn(CC(=O)O)nn2)cs1.
What is the InChIKey of 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is MRTNRYOYXVCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c11-10-13-6(5-20-10)1-8(17)12-2-7-3-16(15-14-7)4-9(18)19/h3,5H,1-2,4H2,(H2,11,13)(H,12,17)(H,18,19).
What are the key properties of 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 296.31 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).