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

C13H16N4O2S — CID 122050500

IUPAC(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1nnc(-c2ccccn2)s1)C(=O)O
InChIInChI=1S/C13H16N4O2S/c1-3-8(2)10(12(18)19)15-13-17-16-11(20-13)9-6-4-5-7-14-9/h4-8,10H,3H2,1-2H3,(H,15,17)(H,18,19)/t8-,10-/m0/s1
InChIKeySSWIXJJKKDKISX-WPRPVWTQSA-N
MW292.36 g/mol
LogP2.51
Rot. Bonds6

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

(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (PubChem CID 122050500) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
PubChem CID122050500
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1nnc(-c2ccccn2)s1)C(=O)O
InChIInChI=1S/C13H16N4O2S/c1-3-8(2)10(12(18)19)15-13-17-16-11(20-13)9-6-4-5-7-14-9/h4-8,10H,3H2,1-2H3,(H,15,17)(H,18,19)/t8-,10-/m0/s1
InChIKeySSWIXJJKKDKISX-WPRPVWTQSA-N
XLogP2.51
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
2-(2-butan-2-ylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55810418
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 123183756
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55807465

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (CID 122050500) is (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is CC[C@H](C)[C@H](Nc1nnc(-c2ccccn2)s1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The InChIKey is SSWIXJJKKDKISX-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-8(2)10(12(18)19)15-13-17-16-11(20-13)9-6-4-5-7-14-9/h4-8,10H,3H2,1-2H3,(H,15,17)(H,18,19)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid has a molecular weight of 292.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122050500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).