2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H22N4OS — CID 166188297

IUPAC2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NCCCn3ccnc3)s2)cc1
InChIInChI=1S/C19H22N4OS/c1-3-15-5-7-16(8-6-15)19-22-14(2)17(25-19)18(24)21-9-4-11-23-12-10-20-13-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,21,24)
InChIKeyFPBSWADSEAXVIY-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.70
Rot. Bonds7

About 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 166188297) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID166188297
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NCCCn3ccnc3)s2)cc1
InChIInChI=1S/C19H22N4OS/c1-3-15-5-7-16(8-6-15)19-22-14(2)17(25-19)18(24)21-9-4-11-23-12-10-20-13-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,21,24)
InChIKeyFPBSWADSEAXVIY-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.70
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

2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42536427
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 49319130
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 4606860
N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084315
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788207
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 166188297) is 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)NCCCn3ccnc3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FPBSWADSEAXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-3-15-5-7-16(8-6-15)19-22-14(2)17(25-19)18(24)21-9-4-11-23-12-10-20-13-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166188297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).