3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C24H26ClN3O2S — CID 59232573

IUPAC3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H26ClN3O2S/c1-24(2,22(29)27-23-26-11-16-31-23)21(17-3-7-19(25)8-4-17)18-5-9-20(10-6-18)28-12-14-30-15-13-28/h3-11,16,21H,12-15H2,1-2H3,(H,26,27,29)
InChIKeyCSQBZPPAJYMURD-UHFFFAOYSA-N
MW456.01 g/mol
LogP5.43
Rot. Bonds6

About 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59232573) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59232573
Molecular FormulaC24H26ClN3O2S
Molecular Weight456.01 g/mol
Exact Mass455.14
IUPAC Name3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H26ClN3O2S/c1-24(2,22(29)27-23-26-11-16-31-23)21(17-3-7-19(25)8-4-17)18-5-9-20(10-6-18)28-12-14-30-15-13-28/h3-11,16,21H,12-15H2,1-2H3,(H,26,27,29)
InChIKeyCSQBZPPAJYMURD-UHFFFAOYSA-N
XLogP5.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.01
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide with MolForge

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Related Compounds

3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619
ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 143671313
2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 4118384
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59252882
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
(Z)-2-cyano-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2414857
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
CID 89275031
CID 89275031
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
6-methyl-2-morpholin-4-yl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 56731273
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59252765

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 59232573) is 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CSQBZPPAJYMURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2S/c1-24(2,22(29)27-23-26-11-16-31-23)21(17-3-7-19(25)8-4-17)18-5-9-20(10-6-18)28-12-14-30-15-13-28/h3-11,16,21H,12-15H2,1-2H3,(H,26,27,29).
What are the key properties of 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 456.01 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59232573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).