2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid

C9H13N3O3S — CID 65219482

IUPAC2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-2-3-6(9(14)15)4-10-8(13)7-5-11-16-12-7/h5-6H,2-4H2,1H3,(H,10,13)(H,14,15)
InChIKeyLXNABZMMIZHKEN-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.77
Rot. Bonds6

About 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid

2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid (PubChem CID 65219482) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid
PubChem CID65219482
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-2-3-6(9(14)15)4-10-8(13)7-5-11-16-12-7/h5-6H,2-4H2,1H3,(H,10,13)(H,14,15)
InChIKeyLXNABZMMIZHKEN-UHFFFAOYSA-N
XLogP0.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 106107261
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 114036847
N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63120256
N-(3-methyl-2-oxobutyl)-1,2,5-thiadiazole-3-carboxamide
CID 91648581
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63298702
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
CID 47257748
2-[[(4-methylsulfonylbenzoyl)amino]methyl]pentanoic acid
CID 65223109
(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid
CID 61153025
2-[[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218897

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid (CID 65219482) is 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid is CCCC(CNC(=O)c1cnsn1)C(=O)O.
What is the InChIKey of 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid?
The InChIKey is LXNABZMMIZHKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-2-3-6(9(14)15)4-10-8(13)7-5-11-16-12-7/h5-6H,2-4H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid?
2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 65219482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).