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

C9H8N4O4S — CID 107642755

IUPAC3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCc1nnc(NC(=O)c2cc(C(=O)O)on2)s1
InChIInChI=1S/C9H8N4O4S/c1-2-6-11-12-9(18-6)10-7(14)4-3-5(8(15)16)17-13-4/h3H,2H2,1H3,(H,15,16)(H,10,12,14)
InChIKeyQSVQBDOTAWAZGR-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.04
Rot. Bonds4

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

3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107642755) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107642755
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCc1nnc(NC(=O)c2cc(C(=O)O)on2)s1
InChIInChI=1S/C9H8N4O4S/c1-2-6-11-12-9(18-6)10-7(14)4-3-5(8(15)16)17-13-4/h3H,2H2,1H3,(H,15,16)(H,10,12,14)
InChIKeyQSVQBDOTAWAZGR-UHFFFAOYSA-N
XLogP1.04
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
CID 47338144
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-3-carboxylic acid
CID 19029457
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid
CID 19029540
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47205516
5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011674
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9046504
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107642755) is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCc1nnc(NC(=O)c2cc(C(=O)O)on2)s1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is QSVQBDOTAWAZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c1-2-6-11-12-9(18-6)10-7(14)4-3-5(8(15)16)17-13-4/h3H,2H2,1H3,(H,15,16)(H,10,12,14).
What are the key properties of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107642755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).