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

C18H22ClN3O2S — CID 2239702

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C[C@H](C)O1
InChIInChI=1S/C18H22ClN3O2S/c1-12-9-22(10-13(2)24-12)11-17(23)21-18-20-8-16(25-18)7-14-3-5-15(19)6-4-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,21,23)/t12-,13+
InChIKeyQDZRBVLLIZXHGN-BETUJISGSA-N
MW379.91 g/mol
LogP3.43
Rot. Bonds5

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

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 2239702) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID2239702
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C[C@H](C)O1
InChIInChI=1S/C18H22ClN3O2S/c1-12-9-22(10-13(2)24-12)11-17(23)21-18-20-8-16(25-18)7-14-3-5-15(19)6-4-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,21,23)/t12-,13+
InChIKeyQDZRBVLLIZXHGN-BETUJISGSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454388
(3S,4S)-1-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120650
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 24645705
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)acetamide
CID 18808957
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26011308
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034977
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]-3,3-diphenylpropanamide
CID 3925208
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2239669
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 2239702) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C[C@H](C)O1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is QDZRBVLLIZXHGN-BETUJISGSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-12-9-22(10-13(2)24-12)11-17(23)21-18-20-8-16(25-18)7-14-3-5-15(19)6-4-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,21,23)/t12-,13+.
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide has a molecular weight of 379.91 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 2239702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).