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

C8H13N3O2S — CID 65268244

IUPAC4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCc1nsc(NC(C)CCC(=O)O)n1
InChIInChI=1S/C8H13N3O2S/c1-5(3-4-7(12)13)9-8-10-6(2)11-14-8/h5H,3-4H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyYJGUGSGPGZAXGO-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.51
Rot. Bonds5

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

4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (PubChem CID 65268244) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
PubChem CID65268244
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCc1nsc(NC(C)CCC(=O)O)n1
InChIInChI=1S/C8H13N3O2S/c1-5(3-4-7(12)13)9-8-10-6(2)11-14-8/h5H,3-4H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyYJGUGSGPGZAXGO-UHFFFAOYSA-N
XLogP1.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304260
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 107304273
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 107304345
2-Methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304401
3-Methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304403
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pentanoic acid
CID 107304404
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 107304427
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]hexanoic acid
CID 107304428
4-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoic acid
CID 113943884
6-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 65267481
4-Methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65267485
Ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65267490

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (CID 65268244) is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is Cc1nsc(NC(C)CCC(=O)O)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The InChIKey is YJGUGSGPGZAXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(3-4-7(12)13)9-8-10-6(2)11-14-8/h5H,3-4H2,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid has a molecular weight of 215.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is sourced from PubChem (CID 65268244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).