2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid

C9H15N3O2S — CID 65266431

IUPAC2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid
SMILESCC(C)(Nc1nncs1)C(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O2S/c1-8(2,6(13)14)9(3,4)11-7-12-10-5-15-7/h5H,1-4H3,(H,11,12)(H,13,14)
InChIKeyGYLNHOXWOXURIB-UHFFFAOYSA-N
MW229.31 g/mol
LogP1.84
Rot. Bonds4

About 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid

2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid (PubChem CID 65266431) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid
PubChem CID65266431
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid
SMILESCC(C)(Nc1nncs1)C(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O2S/c1-8(2,6(13)14)9(3,4)11-7-12-10-5-15-7/h5H,1-4H3,(H,11,12)(H,13,14)
InChIKeyGYLNHOXWOXURIB-UHFFFAOYSA-N
XLogP1.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 131093296
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanoic acid
CID 115427794
2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 3453475
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 106278171
2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol
CID 105058401
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
2,2,3-trimethyl-3-[(5-methylpyrimidin-2-yl)amino]butanoic acid
CID 65265850
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1194383
3-[(4-cyanopyridazin-3-yl)amino]-2,2,3-trimethylbutanoic acid
CID 80508494

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid (CID 65266431) is 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid is CC(C)(Nc1nncs1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid?
The InChIKey is GYLNHOXWOXURIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8(2,6(13)14)9(3,4)11-7-12-10-5-15-7/h5H,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid?
2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid has a molecular weight of 229.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid is sourced from PubChem (CID 65266431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).