2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid

C10H12N2O4S — CID 82154968

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C10H12N2O4S/c13-9(12-1-3-16-4-2-12)5-8-11-7(6-17-8)10(14)15/h6H,1-5H2,(H,14,15)
InChIKeyIWCPGGCPAGKRMV-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.24
Rot. Bonds3

About 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid

2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82154968) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID82154968
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C10H12N2O4S/c13-9(12-1-3-16-4-2-12)5-8-11-7(6-17-8)10(14)15/h6H,1-5H2,(H,14,15)
InChIKeyIWCPGGCPAGKRMV-UHFFFAOYSA-N
XLogP0.24
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
2-[(1,4-oxazepane-4-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379791
1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 9422033
2-[2-(1,4-oxazepane-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374918
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697423
2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17445145
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
2-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17418164
1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386953
2-[[[4-(aminomethyl)oxane-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115439687

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid (CID 82154968) is 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IWCPGGCPAGKRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-9(12-1-3-16-4-2-12)5-8-11-7(6-17-8)10(14)15/h6H,1-5H2,(H,14,15).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid?
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82154968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).