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

C12H18N2O3S — CID 79657361

IUPAC2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)N1CCOC(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O3S/c1-8(2)14-3-4-17-10(6-14)12-13-9(7-18-12)5-11(15)16/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyAJKMRXCQSUATRY-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.55
Rot. Bonds4

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

2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 79657361) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID79657361
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)N1CCOC(c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O3S/c1-8(2)14-3-4-17-10(6-14)12-13-9(7-18-12)5-11(15)16/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyAJKMRXCQSUATRY-UHFFFAOYSA-N
XLogP1.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79078482
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79663346
methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 115422675
4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
CID 112688094
2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine
CID 115611797
5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696292
4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline
CID 79665221
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methanamine
CID 79088973
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 115333201
[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid (CID 79657361) is 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid is CC(C)N1CCOC(c2nc(CC(=O)O)cs2)C1.
What is the InChIKey of 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AJKMRXCQSUATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)14-3-4-17-10(6-14)12-13-9(7-18-12)5-11(15)16/h7-8,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 270.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 79657361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).