1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid

C10H15N3O2S — CID 81165137

IUPAC1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid
SMILESCCCc1nsc(NC2(C(=O)O)CCC2)n1
InChIInChI=1S/C10H15N3O2S/c1-2-4-7-11-9(16-13-7)12-10(8(14)15)5-3-6-10/h2-6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyZLBQNWYITRQLGU-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.91
Rot. Bonds5

About 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid

1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81165137) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID81165137
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid
SMILESCCCc1nsc(NC2(C(=O)O)CCC2)n1
InChIInChI=1S/C10H15N3O2S/c1-2-4-7-11-9(16-13-7)12-10(8(14)15)5-3-6-10/h2-6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyZLBQNWYITRQLGU-UHFFFAOYSA-N
XLogP1.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270815
[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol
CID 65276919
[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol
CID 115886146
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 114757150
N,N-dimethyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271389
N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271676
2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65277150
1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
2-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 106108351
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061
4-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzoic acid
CID 65273614

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid (CID 81165137) is 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid is CCCc1nsc(NC2(C(=O)O)CCC2)n1.
What is the InChIKey of 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is ZLBQNWYITRQLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-4-7-11-9(16-13-7)12-10(8(14)15)5-3-6-10/h2-6H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid?
1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).