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

C9H15N3O2S — CID 65267485

IUPAC4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCc1nsc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-5(2)4-7(8(13)14)11-9-10-6(3)12-15-9/h5,7H,4H2,1-3H3,(H,13,14)(H,10,11,12)
InChIKeySTZFYNBAFZWGQB-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.76
Rot. Bonds5

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

4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (PubChem CID 65267485) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
PubChem CID65267485
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCc1nsc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-5(2)4-7(8(13)14)11-9-10-6(3)12-15-9/h5,7H,4H2,1-3H3,(H,13,14)(H,10,11,12)
InChIKeySTZFYNBAFZWGQB-UHFFFAOYSA-N
XLogP1.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304268
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]hexanoic acid
CID 107304269
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 107304273
3-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304305
4-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 107304306
2-Cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304321
2-Cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304359
2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pentanoic acid
CID 107304366
4-Methyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pentanoic acid
CID 107304397
2-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 113943855
Methyl 4-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate
CID 113943859
4-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 113943884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (CID 65267485) is 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is Cc1nsc(NC(CC(C)C)C(=O)O)n1.
What is the InChIKey of 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The InChIKey is STZFYNBAFZWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)4-7(8(13)14)11-9-10-6(3)12-15-9/h5,7H,4H2,1-3H3,(H,13,14)(H,10,11,12).
What are the key properties of 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is sourced from PubChem (CID 65267485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).