N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide

C18H21Cl2N3O2S — CID 7454388

IUPACN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C[C@H](C)O1
InChIInChI=1S/C18H21Cl2N3O2S/c1-11-8-23(9-12(2)25-11)10-16(24)22-18-21-7-14(26-18)6-13-4-3-5-15(19)17(13)20/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,22,24)/t11-,12-/m0/s1
InChIKeyKVSPGIMLZINJQV-RYUDHWBXSA-N
MW414.36 g/mol
LogP4.09
Rot. Bonds5

About N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 7454388) has the molecular formula C18H21Cl2N3O2S and a molecular weight of 414.36 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID7454388
Molecular FormulaC18H21Cl2N3O2S
Molecular Weight414.36 g/mol
Exact Mass413.07
IUPAC NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C[C@H](C)O1
InChIInChI=1S/C18H21Cl2N3O2S/c1-11-8-23(9-12(2)25-11)10-16(24)22-18-21-7-14(26-18)6-13-4-3-5-15(19)17(13)20/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,22,24)/t11-,12-/m0/s1
InChIKeyKVSPGIMLZINJQV-RYUDHWBXSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide 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

N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454397
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 3608472
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2239702
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838178
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 55811278
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide
CID 2239758
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 46970393
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034757

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 7454388) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@H]1CN(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C[C@H](C)O1.
What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is KVSPGIMLZINJQV-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2S/c1-11-8-23(9-12(2)25-11)10-16(24)22-18-21-7-14(26-18)6-13-4-3-5-15(19)17(13)20/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,22,24)/t11-,12-/m0/s1.
What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide has a molecular weight of 414.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 7454388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).