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

C10H15N3O3S — CID 66252065

IUPAC4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCCN(c1nncs1)C1COCC1C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-2-3-13(10-12-11-6-17-10)8-5-16-4-7(8)9(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyHHFXWXKYTDQURK-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.85
Rot. Bonds5

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

4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66252065) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID66252065
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCCN(c1nncs1)C1COCC1C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-2-3-13(10-12-11-6-17-10)8-5-16-4-7(8)9(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyHHFXWXKYTDQURK-UHFFFAOYSA-N
XLogP0.85
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66236176
4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid
CID 83152967
4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66253038
4-[(2-cyano-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66252252
4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66319006
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959182
4-[(1-methyl-4-nitropyrazol-3-yl)-propylamino]oxolane-3-carboxylic acid
CID 103079363
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[(3-nitro-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66254191
4-(3-nitro-N-propylanilino)oxolane-3-carboxylic acid
CID 66253611
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid (CID 66252065) is 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid is CCCN(c1nncs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is HHFXWXKYTDQURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-3-13(10-12-11-6-17-10)8-5-16-4-7(8)9(14)15/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).