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

C10H13N3O4S — CID 107641478

IUPAC5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCc1nnc(NC(=O)C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C10H13N3O4S/c1-2-7-12-13-10(18-7)11-8(14)5-3-4-6(17-5)9(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyBJXMPHUMVKYPDC-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.67
Rot. Bonds4

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

5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 107641478) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID107641478
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCc1nnc(NC(=O)C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C10H13N3O4S/c1-2-7-12-13-10(18-7)11-8(14)5-3-4-6(17-5)9(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyBJXMPHUMVKYPDC-UHFFFAOYSA-N
XLogP0.67
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
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]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107642750
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154837433
5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102689026
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 129414179
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 9046500

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid (CID 107641478) is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid is CCc1nnc(NC(=O)C2CCC(C(=O)O)O2)s1.
What is the InChIKey of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BJXMPHUMVKYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-2-7-12-13-10(18-7)11-8(14)5-3-4-6(17-5)9(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107641478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).