2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid

C14H22N2O3S — CID 66435835

IUPAC2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
SMILESCC(C)(C)c1nc(CN2CCOC(CC(=O)O)C2)cs1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)13-15-10(9-20-13)7-16-4-5-19-11(8-16)6-12(17)18/h9,11H,4-8H2,1-3H3,(H,17,18)
InChIKeyVIIAGBBBFHQCQI-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid

2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid (PubChem CID 66435835) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
PubChem CID66435835
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
SMILESCC(C)(C)c1nc(CN2CCOC(CC(=O)O)C2)cs1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)13-15-10(9-20-13)7-16-4-5-19-11(8-16)6-12(17)18/h9,11H,4-8H2,1-3H3,(H,17,18)
InChIKeyVIIAGBBBFHQCQI-UHFFFAOYSA-N
XLogP2.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid (CID 66435835) is 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid is CC(C)(C)c1nc(CN2CCOC(CC(=O)O)C2)cs1.
What is the InChIKey of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is VIIAGBBBFHQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)13-15-10(9-20-13)7-16-4-5-19-11(8-16)6-12(17)18/h9,11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 298.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).