2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

C9H13N3O3S — CID 115427027

IUPAC2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-5-6(16-12-11-5)7(13)10-4-9(2,3)8(14)15/h4H2,1-3H3,(H,10,13)(H,14,15)
InChIKeyOZUSNNRJVVWDCF-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.69
Rot. Bonds4

About 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 115427027) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID115427027
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-5-6(16-12-11-5)7(13)10-4-9(2,3)8(14)15/h4H2,1-3H3,(H,10,13)(H,14,15)
InChIKeyOZUSNNRJVVWDCF-UHFFFAOYSA-N
XLogP0.69
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic 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

N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide
CID 102999194
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide
CID 102979948
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 103352583
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
N-(3-bromobutyl)-4-methylthiadiazole-5-carboxamide
CID 114312469
4-methyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722584
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
CID 9089953
3-[4-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76905993

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (CID 115427027) is 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is Cc1nnsc1C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is OZUSNNRJVVWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-5-6(16-12-11-5)7(13)10-4-9(2,3)8(14)15/h4H2,1-3H3,(H,10,13)(H,14,15).
What are the key properties of 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115427027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).