4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid

C11H16N2O2S2 — CID 82909197

IUPAC4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
SMILESCc1ncsc1CCN1CCSCC1C(=O)O
InChIInChI=1S/C11H16N2O2S2/c1-8-10(17-7-12-8)2-3-13-4-5-16-6-9(13)11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyLKPFFCAUOJHZFH-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.50
Rot. Bonds4

About 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid

4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid (PubChem CID 82909197) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
PubChem CID82909197
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
SMILESCc1ncsc1CCN1CCSCC1C(=O)O
InChIInChI=1S/C11H16N2O2S2/c1-8-10(17-7-12-8)2-3-13-4-5-16-6-9(13)11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyLKPFFCAUOJHZFH-UHFFFAOYSA-N
XLogP1.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 55035250
4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900616
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
CID 78997614
tert-butyl (2R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 80710247
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192523
4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
CID 82905755
4-(3-methylbut-3-enyl)thiomorpholine-3-carboxylic acid
CID 114473231
4-(2-tert-butylsulfonylethyl)thiomorpholine-3-carboxylic acid
CID 106727671
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
CID 62071343
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxylic acid
CID 62070666
2-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339519
4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid
CID 62861060

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid (CID 82909197) is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid is Cc1ncsc1CCN1CCSCC1C(=O)O.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid?
The InChIKey is LKPFFCAUOJHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-8-10(17-7-12-8)2-3-13-4-5-16-6-9(13)11(14)15/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid?
4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid has a molecular weight of 272.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82909197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).