(2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine

C7H14N4O2S — CID 70574424

IUPAC(2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine
SMILESCC(C)[C@H](N)C(=O)O.Nc1cnns1
InChIInChI=1S/C5H11NO2.C2H3N3S/c1-3(2)4(6)5(7)8;3-2-1-4-5-6-2/h3-4H,6H2,1-2H3,(H,7,8);1H,3H2/t4-;/m0./s1
InChIKeyCODZDXAODWZAEE-WCCKRBBISA-N
MW218.28 g/mol
LogP0.17
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine

(2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine (PubChem CID 70574424) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine
PubChem CID70574424
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine
SMILESCC(C)[C@H](N)C(=O)O.Nc1cnns1
InChIInChI=1S/C5H11NO2.C2H3N3S/c1-3(2)4(6)5(7)8;3-2-1-4-5-6-2/h3-4H,6H2,1-2H3,(H,7,8);1H,3H2/t4-;/m0./s1
InChIKeyCODZDXAODWZAEE-WCCKRBBISA-N
XLogP0.17
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

thiadiazol-5-amine;dihydrochloride
CID 67486560
hydron;thiadiazol-5-amine
CID 131850580
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
CID 130171145
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
silver 2-amino-3-methylbutanoic acid
CID 19021116
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine (CID 70574424) is (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine is CC(C)[C@H](N)C(=O)O.Nc1cnns1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine?
The InChIKey is CODZDXAODWZAEE-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C2H3N3S/c1-3(2)4(6)5(7)8;3-2-1-4-5-6-2/h3-4H,6H2,1-2H3,(H,7,8);1H,3H2/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine?
(2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine has a molecular weight of 218.28 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;thiadiazol-5-amine is sourced from PubChem (CID 70574424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).