2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid

C7H8N4O4S — CID 43522579

IUPAC2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cnsn1
InChIInChI=1S/C7H8N4O4S/c12-5(8-3-6(13)14)2-9-7(15)4-1-10-16-11-4/h1H,2-3H2,(H,8,12)(H,9,15)(H,13,14)
InChIKeyMXDOAWPMQQWQAQ-UHFFFAOYSA-N
MW244.23 g/mol
LogP-1.53
Rot. Bonds5

About 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid

2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid (PubChem CID 43522579) has the molecular formula C7H8N4O4S and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid
PubChem CID43522579
Molecular FormulaC7H8N4O4S
Molecular Weight244.23 g/mol
Exact Mass244.03
IUPAC Name2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1cnsn1
InChIInChI=1S/C7H8N4O4S/c12-5(8-3-6(13)14)2-9-7(15)4-1-10-16-11-4/h1H,2-3H2,(H,8,12)(H,9,15)(H,13,14)
InChIKeyMXDOAWPMQQWQAQ-UHFFFAOYSA-N
XLogP-1.53
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide
CID 115636693
N-(3-methyl-2-oxobutyl)-1,2,5-thiadiazole-3-carboxamide
CID 91648581
ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
CID 47257748
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid
CID 115429586
2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 106107261
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
N-[[4-(hydroxymethyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 107232610
1,2,5-thiadiazole-3-carboxylic acid
CID 1398314
2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid
CID 65219482
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63298702

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid (CID 43522579) is 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1cnsn1.
What is the InChIKey of 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is MXDOAWPMQQWQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4S/c12-5(8-3-6(13)14)2-9-7(15)4-1-10-16-11-4/h1H,2-3H2,(H,8,12)(H,9,15)(H,13,14).
What are the key properties of 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid?
2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 244.23 g/mol, XLogP of -1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43522579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).