2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide

C22H31N3O2S — CID 51951575

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
SMILESCC[C@](C)(CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C22H31N3O2S/c1-5-22(4,25-10-12-27-13-11-25)15-23-20(26)14-19-21(24-17(3)28-19)18-8-6-16(2)7-9-18/h6-9H,5,10-15H2,1-4H3,(H,23,26)/t22-/m1/s1
InChIKeyZBIOLXSQCHGHPQ-JOCHJYFZSA-N
MW401.58 g/mol
LogP3.59
Rot. Bonds7

About 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide (PubChem CID 51951575) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
PubChem CID51951575
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
SMILESCC[C@](C)(CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C22H31N3O2S/c1-5-22(4,25-10-12-27-13-11-25)15-23-20(26)14-19-21(24-17(3)28-19)18-8-6-16(2)7-9-18/h6-9H,5,10-15H2,1-4H3,(H,23,26)/t22-/m1/s1
InChIKeyZBIOLXSQCHGHPQ-JOCHJYFZSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 38094090
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55743582
ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
CID 29435932
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N,N-dimethyl-4-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]benzamide
CID 134039142
N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51943596
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505154
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55743704
4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
CID 46450216
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide (CID 51951575) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide is CC[C@](C)(CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
The InChIKey is ZBIOLXSQCHGHPQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-5-22(4,25-10-12-27-13-11-25)15-23-20(26)14-19-21(24-17(3)28-19)18-8-6-16(2)7-9-18/h6-9H,5,10-15H2,1-4H3,(H,23,26)/t22-/m1/s1.
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide has a molecular weight of 401.58 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide is sourced from PubChem (CID 51951575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).