N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide

C17H23N3O2S — CID 86991474

IUPACN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H23N3O2S/c1-20(11-12-22-2)10-6-9-18-16(21)15-13-19-17(23-15)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,21)
InChIKeyOBECDCWFONKTOB-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.51
Rot. Bonds9

About N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 86991474) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID86991474
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H23N3O2S/c1-20(11-12-22-2)10-6-9-18-16(21)15-13-19-17(23-15)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,21)
InChIKeyOBECDCWFONKTOB-UHFFFAOYSA-N
XLogP2.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.51
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

6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 49371122
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119172820
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide
CID 119855410
N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119505049

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 86991474) is N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide is COCCN(C)CCCNC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OBECDCWFONKTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-20(11-12-22-2)10-6-9-18-16(21)15-13-19-17(23-15)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86991474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).