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

C18H21Cl2N3O2S — CID 7454397

IUPACN-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)C[C@H](C)O1
InChIInChI=1S/C18H21Cl2N3O2S/c1-11-8-23(9-12(2)25-11)10-17(24)22-18-21-7-13(26-18)6-14-15(19)4-3-5-16(14)20/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,22,24)/t11-,12-/m0/s1
InChIKeyQVOFORAQYBRNAR-RYUDHWBXSA-N
MW414.36 g/mol
LogP4.09
Rot. Bonds5

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

N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 7454397) has the molecular formula C18H21Cl2N3O2S and a molecular weight of 414.36 g/mol. Its IUPAC name is N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID7454397
Molecular FormulaC18H21Cl2N3O2S
Molecular Weight414.36 g/mol
Exact Mass413.07
IUPAC NameN-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)C[C@H](C)O1
InChIInChI=1S/C18H21Cl2N3O2S/c1-11-8-23(9-12(2)25-11)10-17(24)22-18-21-7-13(26-18)6-14-15(19)4-3-5-16(14)20/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,21,22,24)/t11-,12-/m0/s1
InChIKeyQVOFORAQYBRNAR-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

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Related Compounds

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454388
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]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 3608472
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18135337
(3S,4S)-1-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120650
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
2-[4-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 43039514
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2239669
methyl 4-chloro-3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 3315101
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 24593939
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51593290
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24594565

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 7454397) is N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@H]1CN(CC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)C[C@H](C)O1.
What is the InChIKey of N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is QVOFORAQYBRNAR-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2S/c1-11-8-23(9-12(2)25-11)10-17(24)22-18-21-7-13(26-18)6-14-15(19)4-3-5-16(14)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-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-[5-[(2,6-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-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 7454397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).