2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid

C17H20ClN3O3S — CID 122051970

IUPAC2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(c2ncc(-c3ccc(Cl)cc3)s2)CCO1
InChIInChI=1S/C17H20ClN3O3S/c1-20(11-16(22)23)9-14-10-21(6-7-24-14)17-19-8-15(25-17)12-2-4-13(18)5-3-12/h2-5,8,14H,6-7,9-11H2,1H3,(H,22,23)
InChIKeyISBMYDGXXURHDU-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.69
Rot. Bonds6

About 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122051970) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122051970
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(c2ncc(-c3ccc(Cl)cc3)s2)CCO1
InChIInChI=1S/C17H20ClN3O3S/c1-20(11-16(22)23)9-14-10-21(6-7-24-14)17-19-8-15(25-17)12-2-4-13(18)5-3-12/h2-5,8,14H,6-7,9-11H2,1H3,(H,22,23)
InChIKeyISBMYDGXXURHDU-UHFFFAOYSA-N
XLogP2.69
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]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

2-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043660
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
CID 124875294
2-[[4-(6-chloro-3-cyanoquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122052022
2-[[4-(3-bromo-4-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965260
2-[[4-(5-ethoxycarbonyl-2-pyridinyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965247
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184
2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965265
2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072108
2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606681

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122051970) is 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(c2ncc(-c3ccc(Cl)cc3)s2)CCO1.
What is the InChIKey of 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is ISBMYDGXXURHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-20(11-16(22)23)9-14-10-21(6-7-24-14)17-19-8-15(25-17)12-2-4-13(18)5-3-12/h2-5,8,14H,6-7,9-11H2,1H3,(H,22,23).
What are the key properties of 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 381.89 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122051970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).