2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C12H16N2O4S — CID 113395821

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESO=C(O)C1CCc2sc(N3CCOC(CO)C3)nc21
InChIInChI=1S/C12H16N2O4S/c15-6-7-5-14(3-4-18-7)12-13-10-8(11(16)17)1-2-9(10)19-12/h7-8,15H,1-6H2,(H,16,17)
InChIKeyYKONOHSSGFGLIM-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.46
Rot. Bonds3

About 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 113395821) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID113395821
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESO=C(O)C1CCc2sc(N3CCOC(CO)C3)nc21
InChIInChI=1S/C12H16N2O4S/c15-6-7-5-14(3-4-18-7)12-13-10-8(11(16)17)1-2-9(10)19-12/h7-8,15H,1-6H2,(H,16,17)
InChIKeyYKONOHSSGFGLIM-UHFFFAOYSA-N
XLogP0.46
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395668
N-ethyl-2-(2-ethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976775
[4-(thiatriazol-5-yl)morpholin-2-yl]methanol
CID 117045194
ethyl 2-(3-methoxypyrrolidin-1-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 103541672
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
2-(2,2-dimethylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 113395780
5-[2-(hydroxymethyl)morpholin-4-yl]thiophene-2-carbaldehyde
CID 81205138
ethyl 3-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]propanoate
CID 103488250
[4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholin-2-yl]methanol
CID 81205273
N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976705
[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751187
4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 167856739

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 113395821) is 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is O=C(O)C1CCc2sc(N3CCOC(CO)C3)nc21.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is YKONOHSSGFGLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-6-7-5-14(3-4-18-7)12-13-10-8(11(16)17)1-2-9(10)19-12/h7-8,15H,1-6H2,(H,16,17).
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 113395821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).