2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid

C7H9N3O4S — CID 66174400

IUPAC2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C7H9N3O4S/c1-7(14,6(12)13)3-8-5(11)4-2-15-10-9-4/h2,14H,3H2,1H3,(H,8,11)(H,12,13)
InChIKeyVLXRJODECTZFEN-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.90
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid

2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid (PubChem CID 66174400) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
PubChem CID66174400
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C7H9N3O4S/c1-7(14,6(12)13)3-8-5(11)4-2-15-10-9-4/h2,14H,3H2,1H3,(H,8,11)(H,12,13)
InChIKeyVLXRJODECTZFEN-UHFFFAOYSA-N
XLogP-0.90
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
CID 111485978
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-4-carboxamide
CID 102914856
N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
CID 107156631
2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
CID 66173370
4-[(thiadiazole-4-carbonylamino)methyl]benzoic acid
CID 62033869
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 66174202
N-(5-iodopentyl)thiadiazole-4-carboxamide
CID 107322221
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318
N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide
CID 82993492
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
N-[(E)-4-chlorobut-2-enyl]thiadiazole-4-carboxamide
CID 81429616

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid (CID 66174400) is 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid is CC(O)(CNC(=O)c1csnn1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid?
The InChIKey is VLXRJODECTZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-7(14,6(12)13)3-8-5(11)4-2-15-10-9-4/h2,14H,3H2,1H3,(H,8,11)(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid?
2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid is sourced from PubChem (CID 66174400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).