2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid

C10H14N2O3S — CID 79078482

IUPAC2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCN1CCOC(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C10H14N2O3S/c1-12-2-3-15-8(5-12)10-11-7(6-16-10)4-9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyMOTFMXJSHYNSBW-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.77
Rot. Bonds3

About 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 79078482) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID79078482
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCN1CCOC(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C10H14N2O3S/c1-12-2-3-15-8(5-12)10-11-7(6-16-10)4-9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyMOTFMXJSHYNSBW-UHFFFAOYSA-N
XLogP0.77
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid (CID 79078482) is 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid is CN1CCOC(c2nc(CC(=O)O)cs2)C1.
What is the InChIKey of 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MOTFMXJSHYNSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12-2-3-15-8(5-12)10-11-7(6-16-10)4-9(13)14/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 242.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 79078482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).