2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid

C10H13N3O5S — CID 65204756

IUPAC2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)c1nnsc1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H13N3O5S/c1-5(2)8-9(19-12-11-8)10(18)13(3-6(14)15)4-7(16)17/h5H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUTJBJUKKDMAHOL-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.27
Rot. Bonds6

About 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid

2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid (PubChem CID 65204756) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid
PubChem CID65204756
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCC(C)c1nnsc1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H13N3O5S/c1-5(2)8-9(19-12-11-8)10(18)13(3-6(14)15)4-7(16)17/h5H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUTJBJUKKDMAHOL-UHFFFAOYSA-N
XLogP0.27
TPSA120.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid (CID 65204756) is 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid is CC(C)c1nnsc1C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid?
The InChIKey is UTJBJUKKDMAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-5(2)8-9(19-12-11-8)10(18)13(3-6(14)15)4-7(16)17/h5H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid?
2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid has a molecular weight of 287.30 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 65204756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).