2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid

C9H12N2O3S — CID 79077579

IUPAC2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCN1CCOC(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C9H12N2O3S/c1-11-2-3-14-6(5-11)8-10-4-7(15-8)9(12)13/h4,6H,2-3,5H2,1H3,(H,12,13)
InChIKeyOWMIUUPAJIEKDV-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.84
Rot. Bonds2

About 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid

2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 79077579) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID79077579
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCN1CCOC(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C9H12N2O3S/c1-11-2-3-14-6(5-11)8-10-4-7(15-8)9(12)13/h4,6H,2-3,5H2,1H3,(H,12,13)
InChIKeyOWMIUUPAJIEKDV-UHFFFAOYSA-N
XLogP0.84
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 19885554
2-(Hydroxymethyl)-1,3-thiazole-5-carboxylic acid
CID 22025292
2-(Oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 64981658
2-(Ethoxycarbonyl)-1,3-thiazole-5-carboxylic acid
CID 66714979
2-(1-Methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 71755411
5-Thiazolecarboxylic acid, 2-(1-hydroxyethyl)-
CID 91654553
2-(2-Methyl-1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 121553070
2-[(Tert-butoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 132365140
2-(Oxiran-2-yl)-1,3-thiazole-5-carboxylic acid
CID 176431685
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 103146562
2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 103146563
2-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 103473412

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (CID 79077579) is 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is CN1CCOC(c2ncc(C(=O)O)s2)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OWMIUUPAJIEKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11-2-3-14-6(5-11)8-10-4-7(15-8)9(12)13/h4,6H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79077579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).