N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

C23H24N4OS — CID 84565103

IUPACN-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C23H24N4OS/c1-17-21(15-22(28)25-10-5-12-27-13-11-24-16-27)29-23(26-17)14-19-8-4-7-18-6-2-3-9-20(18)19/h2-4,6-9,11,13,16H,5,10,12,14-15H2,1H3,(H,25,28)
InChIKeyKUHYMYMUEYDJFR-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.14
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84565103) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID84565103
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCCCn1ccnc1
InChIInChI=1S/C23H24N4OS/c1-17-21(15-22(28)25-10-5-12-27-13-11-24-16-27)29-23(26-17)14-19-8-4-7-18-6-2-3-9-20(18)19/h2-4,6-9,11,13,16H,5,10,12,14-15H2,1H3,(H,25,28)
InChIKeyKUHYMYMUEYDJFR-UHFFFAOYSA-N
XLogP4.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564614
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564602
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 84565303
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 84565267
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 84565129
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-quinolin-8-ylacetamide
CID 84564711
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 84567261
N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565256
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 84565281
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84565103) is N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is KUHYMYMUEYDJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-17-21(15-22(28)25-10-5-12-27-13-11-24-16-27)29-23(26-17)14-19-8-4-7-18-6-2-3-9-20(18)19/h2-4,6-9,11,13,16H,5,10,12,14-15H2,1H3,(H,25,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 404.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84565103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).