(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid

C9H11N3O5S — CID 114006173

IUPAC(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C9H11N3O5S/c13-7(14)3-1-2-5(9(16)17)10-8(15)6-4-18-12-11-6/h4-5H,1-3H2,(H,10,15)(H,13,14)(H,16,17)/t5-/m1/s1
InChIKeyYJIPXKDBGZCQTF-RXMQYKEDSA-N
MW273.27 g/mol
LogP-0.02
Rot. Bonds7

About (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid

(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid (PubChem CID 114006173) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid
PubChem CID114006173
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC Name(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C9H11N3O5S/c13-7(14)3-1-2-5(9(16)17)10-8(15)6-4-18-12-11-6/h4-5H,1-3H2,(H,10,15)(H,13,14)(H,16,17)/t5-/m1/s1
InChIKeyYJIPXKDBGZCQTF-RXMQYKEDSA-N
XLogP-0.02
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 81076497
(2R)-2-[(5-iodothiophene-3-carbonyl)amino]hexanedioic acid
CID 107831442
(2R)-2-[(5-bromothiophene-3-carbonyl)amino]hexanedioic acid
CID 107831476
(2R)-2-[(6-bromopyridine-3-carbonyl)amino]hexanedioic acid
CID 107831559
N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide
CID 65216211
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
CID 107835532
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 65214444
4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid
CID 65214664

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid (CID 114006173) is (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)c1csnn1)C(=O)O.
What is the InChIKey of (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid?
The InChIKey is YJIPXKDBGZCQTF-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11N3O5S/c13-7(14)3-1-2-5(9(16)17)10-8(15)6-4-18-12-11-6/h4-5H,1-3H2,(H,10,15)(H,13,14)(H,16,17)/t5-/m1/s1.
What are the key properties of (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid?
(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid has a molecular weight of 273.27 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid is sourced from PubChem (CID 114006173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).