2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid

C9H13N5O3S — CID 115458165

IUPAC2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)C2CSCN2)nn1
InChIInChI=1S/C9H13N5O3S/c15-8(16)3-14-2-6(12-13-14)1-10-9(17)7-4-18-5-11-7/h2,7,11H,1,3-5H2,(H,10,17)(H,15,16)
InChIKeyZVARTDZFRWELLR-UHFFFAOYSA-N
MW271.30 g/mol
LogP-1.36
Rot. Bonds5

About 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid

2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid (PubChem CID 115458165) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid
PubChem CID115458165
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)C2CSCN2)nn1
InChIInChI=1S/C9H13N5O3S/c15-8(16)3-14-2-6(12-13-14)1-10-9(17)7-4-18-5-11-7/h2,7,11H,1,3-5H2,(H,10,17)(H,15,16)
InChIKeyZVARTDZFRWELLR-UHFFFAOYSA-N
XLogP-1.36
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(1,3-thiazolidine-4-carbonylamino)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-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458139
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868
2-[4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457463
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119291914
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61004222
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 103813840
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494
2-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458126
2-[4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457604

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid (CID 115458165) is 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)C2CSCN2)nn1.
What is the InChIKey of 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid?
The InChIKey is ZVARTDZFRWELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c15-8(16)3-14-2-6(12-13-14)1-10-9(17)7-4-18-5-11-7/h2,7,11H,1,3-5H2,(H,10,17)(H,15,16).
What are the key properties of 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid?
2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid has a molecular weight of 271.30 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).