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

C8H11N3O3S — CID 66236176

IUPAC4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1nncs1)C1COCC1C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-11(8-10-9-4-15-8)6-3-14-2-5(6)7(12)13/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZMGJLDAEEWNHAX-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.07
Rot. Bonds3

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

4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66236176) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID66236176
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1nncs1)C1COCC1C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-11(8-10-9-4-15-8)6-3-14-2-5(6)7(12)13/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZMGJLDAEEWNHAX-UHFFFAOYSA-N
XLogP0.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66252065
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
CID 66237388
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 102686010
4-[(5-bromothiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66238008
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]oxolane-3-carboxylic acid
CID 66235162
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235368
4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235767

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid (CID 66236176) is 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid is CN(c1nncs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZMGJLDAEEWNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-11(8-10-9-4-15-8)6-3-14-2-5(6)7(12)13/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid?
4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).