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

C19H25N3O4S — CID 120606740

IUPAC2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2csc(COc3ccccc3)n2)CCO1
InChIInChI=1S/C19H25N3O4S/c1-21(12-19(23)24)10-17-11-22(7-8-25-17)9-15-14-27-18(20-15)13-26-16-5-3-2-4-6-16/h2-6,14,17H,7-13H2,1H3,(H,23,24)
InChIKeyYGNSDAOOHGWBAR-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.94
Rot. Bonds9

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

2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 120606740) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID120606740
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2csc(COc3ccccc3)n2)CCO1
InChIInChI=1S/C19H25N3O4S/c1-21(12-19(23)24)10-17-11-22(7-8-25-17)9-15-14-27-18(20-15)13-26-16-5-3-2-4-6-16/h2-6,14,17H,7-13H2,1H3,(H,23,24)
InChIKeyYGNSDAOOHGWBAR-UHFFFAOYSA-N
XLogP1.94
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[methyl-[[4-[[2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043601
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[methyl-[[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 120606707
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
2-[methyl-[[4-[(3-pyridin-2-ylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043791
2-[[4-[(4,5-dichlorothiophen-3-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043695
2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606681
2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129473594
2-[[4-[[3-(cyclohexylmethoxy)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043592
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid (CID 120606740) is 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid is CN(CC(=O)O)CC1CN(Cc2csc(COc3ccccc3)n2)CCO1.
What is the InChIKey of 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is YGNSDAOOHGWBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-21(12-19(23)24)10-17-11-22(7-8-25-17)9-15-14-27-18(20-15)13-26-16-5-3-2-4-6-16/h2-6,14,17H,7-13H2,1H3,(H,23,24).
What are the key properties of 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 391.49 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 120606740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).