4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid

C11H16N4O4S — CID 107642467

IUPAC4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCCc1nnc(NC(=O)N(C)C2COCC2C(=O)O)s1
InChIInChI=1S/C11H16N4O4S/c1-3-8-13-14-10(20-8)12-11(18)15(2)7-5-19-4-6(7)9(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,14,18)
InChIKeyZPYCOXTUQJJLAG-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.66
Rot. Bonds4

About 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid

4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 107642467) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID107642467
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCCc1nnc(NC(=O)N(C)C2COCC2C(=O)O)s1
InChIInChI=1S/C11H16N4O4S/c1-3-8-13-14-10(20-8)12-11(18)15(2)7-5-19-4-6(7)9(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,14,18)
InChIKeyZPYCOXTUQJJLAG-UHFFFAOYSA-N
XLogP0.66
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
CID 107642597
4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265943
3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110890653
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 106262317
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107642508
4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
CID 79814802
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid (CID 107642467) is 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid is CCc1nnc(NC(=O)N(C)C2COCC2C(=O)O)s1.
What is the InChIKey of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is ZPYCOXTUQJJLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-3-8-13-14-10(20-8)12-11(18)15(2)7-5-19-4-6(7)9(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,14,18).
What are the key properties of 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107642467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).