[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C18H21ClN2O4S — CID 99698816

IUPAC[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1C[C@@H](CO)OC[C@@H]1C
InChIInChI=1S/C18H21ClN2O4S/c1-11-9-24-15(8-22)7-21(11)18(23)17-12(2)20-16(26-17)10-25-14-5-3-13(19)4-6-14/h3-6,11,15,22H,7-10H2,1-2H3/t11-,15-/m0/s1
InChIKeyLXIUWVDQQKTXQO-NHYWBVRUSA-N
MW396.90 g/mol
LogP2.91
Rot. Bonds5

About [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 99698816) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID99698816
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1C[C@@H](CO)OC[C@@H]1C
InChIInChI=1S/C18H21ClN2O4S/c1-11-9-24-15(8-22)7-21(11)18(23)17-12(2)20-16(26-17)10-25-14-5-3-13(19)4-6-14/h3-6,11,15,22H,7-10H2,1-2H3/t11-,15-/m0/s1
InChIKeyLXIUWVDQQKTXQO-NHYWBVRUSA-N
XLogP2.91
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone 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-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-(2-methylmorpholin-4-yl)methanone
CID 51293285
(3R)-4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119514
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119412136
[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651029
(3-aminopyrrolidin-1-yl)-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119482930
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 81208164
[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651028
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 124611791
[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491819
[4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46440776
2-[(4-chlorophenoxy)methyl]-4-methyl-N,N-di(propan-2-yl)-1,3-thiazole-5-carboxamide
CID 56530490
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219797

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 99698816) is [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1C[C@@H](CO)OC[C@@H]1C.
What is the InChIKey of [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is LXIUWVDQQKTXQO-NHYWBVRUSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-11-9-24-15(8-22)7-21(11)18(23)17-12(2)20-16(26-17)10-25-14-5-3-13(19)4-6-14/h3-6,11,15,22H,7-10H2,1-2H3/t11-,15-/m0/s1.
What are the key properties of [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 396.90 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 99698816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).