N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide

C24H25N3OS — CID 55587620

IUPACN-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C24H25N3OS/c1-4-13-27(16-20-9-7-19(15-25)8-10-20)23(28)14-22-24(26-18(3)29-22)21-11-5-17(2)6-12-21/h5-12H,4,13-14,16H2,1-3H3
InChIKeyOJURFVNQXIZIFT-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.28
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide

N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide (PubChem CID 55587620) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide
PubChem CID55587620
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C24H25N3OS/c1-4-13-27(16-20-9-7-19(15-25)8-10-20)23(28)14-22-24(26-18(3)29-22)21-11-5-17(2)6-12-21/h5-12H,4,13-14,16H2,1-3H3
InChIKeyOJURFVNQXIZIFT-UHFFFAOYSA-N
XLogP5.28
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 50985198
N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
CID 52573104
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
5-bromo-N-[2-[(4-cyanophenyl)methyl-propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 55831026
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55742590

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide (CID 55587620) is N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide is CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(C)nc1-c1ccc(C)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide?
The InChIKey is OJURFVNQXIZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-4-13-27(16-20-9-7-19(15-25)8-10-20)23(28)14-22-24(26-18(3)29-22)21-11-5-17(2)6-12-21/h5-12H,4,13-14,16H2,1-3H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide?
N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide has a molecular weight of 403.55 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide is sourced from PubChem (CID 55587620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).