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

C13H20N2O3S — CID 124681690

IUPAC2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
SMILESCC(C)(C)c1csc([C@@H]2CN(CC(=O)O)CCO2)n1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)10-8-19-12(14-10)9-6-15(4-5-18-9)7-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyZLSZRXHOIMCMAE-VIFPVBQESA-N
MW284.38 g/mol
LogP1.90
Rot. Bonds3

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

2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid (PubChem CID 124681690) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
PubChem CID124681690
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
SMILESCC(C)(C)c1csc([C@@H]2CN(CC(=O)O)CCO2)n1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)10-8-19-12(14-10)9-6-15(4-5-18-9)7-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyZLSZRXHOIMCMAE-VIFPVBQESA-N
XLogP1.90
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
CID 86772841
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996
4-acetyl-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 133457235
2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79078482
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide
CID 128641736
2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95137831
2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79657361

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid (CID 124681690) is 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid is CC(C)(C)c1csc([C@@H]2CN(CC(=O)O)CCO2)n1.
What is the InChIKey of 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid?
The InChIKey is ZLSZRXHOIMCMAE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)10-8-19-12(14-10)9-6-15(4-5-18-9)7-11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid?
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid has a molecular weight of 284.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid is sourced from PubChem (CID 124681690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).