(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid

C13H16N4O2S — CID 122062814

IUPAC(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1nnc(-c2ccccn2)s1)C(=O)O
InChIInChI=1S/C13H16N4O2S/c1-2-3-6-10(12(18)19)15-13-17-16-11(20-13)9-7-4-5-8-14-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyJYIYPGJUDBRQCG-JTQLQIEISA-N
MW292.36 g/mol
LogP2.66
Rot. Bonds7

About (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid

(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid (PubChem CID 122062814) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
PubChem CID122062814
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1nnc(-c2ccccn2)s1)C(=O)O
InChIInChI=1S/C13H16N4O2S/c1-2-3-6-10(12(18)19)15-13-17-16-11(20-13)9-7-4-5-8-14-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyJYIYPGJUDBRQCG-JTQLQIEISA-N
XLogP2.66
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122050500
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
CID 122060563
(2S)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]hexanoic acid
CID 122062775
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol
CID 130412460
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid (CID 122062814) is (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid is CCCC[C@H](Nc1nnc(-c2ccccn2)s1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid?
The InChIKey is JYIYPGJUDBRQCG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-3-6-10(12(18)19)15-13-17-16-11(20-13)9-7-4-5-8-14-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid?
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid has a molecular weight of 292.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid is sourced from PubChem (CID 122062814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).