2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C11H11N3O4S — CID 114180825

IUPAC2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cnc(CNC(=O)c2nc(C(=O)O)cs2)o1
InChIInChI=1S/C11H11N3O4S/c1-2-6-3-12-8(18-6)4-13-9(15)10-14-7(5-19-10)11(16)17/h3,5H,2,4H2,1H3,(H,13,15)(H,16,17)
InChIKeyPDPZHWBGVMHICG-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.32
Rot. Bonds5

About 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 114180825) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID114180825
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1cnc(CNC(=O)c2nc(C(=O)O)cs2)o1
InChIInChI=1S/C11H11N3O4S/c1-2-6-3-12-8(18-6)4-13-9(15)10-14-7(5-19-10)11(16)17/h3,5H,2,4H2,1H3,(H,13,15)(H,16,17)
InChIKeyPDPZHWBGVMHICG-UHFFFAOYSA-N
XLogP1.32
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 106371235
2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696977
3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104890841
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114180836
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
CID 106376888
6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 114180453
5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 106377448
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458
3-chloro-6-(ethylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106376933

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 114180825) is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is CCc1cnc(CNC(=O)c2nc(C(=O)O)cs2)o1.
What is the InChIKey of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PDPZHWBGVMHICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-2-6-3-12-8(18-6)4-13-9(15)10-14-7(5-19-10)11(16)17/h3,5H,2,4H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114180825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).