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

C22H26N4O3S2 — CID 30199949

IUPACN-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3nc(CN4C[C@@H](C)O[C@@H](C)C4)cs3)cs2)cc1
InChIInChI=1S/C22H26N4O3S2/c1-14-9-26(10-15(2)29-14)11-18-13-31-22(24-18)25-20(27)8-17-12-30-21(23-17)16-4-6-19(28-3)7-5-16/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,27)/t14-,15+
InChIKeyPMHOPRZACLZPII-GASCZTMLSA-N
MW458.61 g/mol
LogP4.07
Rot. Bonds7

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

N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 30199949) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID30199949
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC NameN-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3nc(CN4C[C@@H](C)O[C@@H](C)C4)cs3)cs2)cc1
InChIInChI=1S/C22H26N4O3S2/c1-14-9-26(10-15(2)29-14)11-18-13-31-22(24-18)25-20(27)8-17-12-30-21(23-17)16-4-6-19(28-3)7-5-16/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,27)/t14-,15+
InChIKeyPMHOPRZACLZPII-GASCZTMLSA-N
XLogP4.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide with MolForge

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Related Compounds

N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 30199953
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119840435
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 30193598
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 42897621
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
2-(3,4-dimethoxyphenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24611364
N-[(2S)-1-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 30196112
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 30199949) is N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3nc(CN4C[C@@H](C)O[C@@H](C)C4)cs3)cs2)cc1.
What is the InChIKey of N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is PMHOPRZACLZPII-GASCZTMLSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-14-9-26(10-15(2)29-14)11-18-13-31-22(24-18)25-20(27)8-17-12-30-21(23-17)16-4-6-19(28-3)7-5-16/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,27)/t14-,15+.
What are the key properties of N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 458.61 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30199949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).