3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid

C14H22N2O3S — CID 82439738

IUPAC3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCC(C)(C)c1nc(N2CCOCC2)sc1CCC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)12-10(4-5-11(17)18)20-13(15-12)16-6-8-19-9-7-16/h4-9H2,1-3H3,(H,17,18)
InChIKeyPVIJNCGUAJXZJI-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.29
Rot. Bonds4

About 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid

3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 82439738) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
PubChem CID82439738
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCC(C)(C)c1nc(N2CCOCC2)sc1CCC(=O)O
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)12-10(4-5-11(17)18)20-13(15-12)16-6-8-19-9-7-16/h4-9H2,1-3H3,(H,17,18)
InChIKeyPVIJNCGUAJXZJI-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82431077
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113
(E)-3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 82439737
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62932044
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 65286588
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (CID 82439738) is 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is CC(C)(C)c1nc(N2CCOCC2)sc1CCC(=O)O.
What is the InChIKey of 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is PVIJNCGUAJXZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)12-10(4-5-11(17)18)20-13(15-12)16-6-8-19-9-7-16/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82439738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).