2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid

C11H16N2O3S — CID 82425086

IUPAC2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C11H16N2O3S/c14-11(15)7-9-8-12-10(17-9)1-2-13-3-5-16-6-4-13/h8H,1-7H2,(H,14,15)
InChIKeyWTGCBHXFTHPLQZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.64
Rot. Bonds5

About 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid

2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82425086) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82425086
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C11H16N2O3S/c14-11(15)7-9-8-12-10(17-9)1-2-13-3-5-16-6-4-13/h8H,1-7H2,(H,14,15)
InChIKeyWTGCBHXFTHPLQZ-UHFFFAOYSA-N
XLogP0.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid (CID 82425086) is 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(CCN2CCOCC2)s1.
What is the InChIKey of 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WTGCBHXFTHPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-11(15)7-9-8-12-10(17-9)1-2-13-3-5-16-6-4-13/h8H,1-7H2,(H,14,15).
What are the key properties of 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 256.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82425086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).